Showing NP-Card for Gutingimycin (NP0005160)
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Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2020-12-09 02:29:23 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 16:51:12 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0005160 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Gutingimycin | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas![]() | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Gutingimycin is found in Streptomyces. It was first documented in 2004 (PMID: 14991799). Based on a literature review very few articles have been published on (3R,6R)-6-{[(1S,17S,18S,19R,21S)-17-{[(2S,5S)-5-acetyl-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-19-(dimethoxymethyl)-10,13,18-trihydroxy-18-[(6-hydroxy-2-imino-3,7-dihydro-2H-purin-7-yl)methyl]-6-methoxy-3-methyl-11-oxo-16,20,22-trioxahexacyclo[17.2.1.0²,¹⁵.0⁵,¹⁴.0⁷,¹².0¹⁷,²¹]Docosa-2(15),3,5,7(12),13-pentaen-8-yl]oxy}-4-hydroxy-2,4-dimethyloxan-3-yl acetate. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0005160 (Gutingimycin)Mrv1652307012118013D 130139 0 0 0 0 999 V2000 4.0506 2.0624 2.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9720 1.1923 1.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8169 0.4727 0.7626 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6661 -0.7966 1.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4231 -1.4159 0.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4534 -0.7806 0.1883 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7277 -1.4344 -0.0872 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6503 0.5075 -0.2696 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 1.1602 -1.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1537 2.4375 -1.5132 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0573 3.0665 -1.2136 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2496 4.4431 -1.7343 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0106 2.4134 -0.4667 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8344 1.1402 0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 3.1180 -2.3410 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1409 3.8096 -1.6364 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3509 3.1788 -1.8648 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5213 4.0876 -1.9712 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7776 4.9082 -0.8950 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6786 6.2399 -1.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6663 3.4258 -2.4101 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0911 3.8233 -3.6744 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1496 2.7666 -3.2439 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9736 2.0578 -3.0182 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5028 1.0037 -2.0689 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0786 0.0302 -2.8165 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7297 -1.0127 -2.2404 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0561 -1.3388 -2.8713 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0753 -2.7080 -3.5115 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.3859 -2.9830 -3.9034 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6294 -3.7897 -2.5505 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6556 -4.2612 -1.7571 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1004 -4.9166 -3.3634 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7054 -6.2858 -3.2148 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1850 -4.7235 -4.1406 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5335 -3.2426 -1.6354 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0420 -2.9404 -0.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9531 -2.2055 -2.3242 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5131 0.4298 -1.2617 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4885 1.8499 -1.2396 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7433 1.3587 -1.6260 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2164 1.6935 0.1972 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9790 2.4265 1.1620 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6896 3.6421 1.6641 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6303 3.9723 2.5465 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5352 2.9909 2.6336 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6674 2.8393 3.3906 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4106 1.7276 3.3026 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5926 1.5313 4.0783 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0287 0.7586 2.4579 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9084 0.8830 1.6936 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5529 -0.0213 0.9102 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1128 2.0258 1.7587 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2703 -2.7639 1.4565 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6768 -3.6041 0.7432 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7928 -3.1155 2.7849 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1543 -4.4855 2.8410 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9842 -2.3063 3.1349 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6539 -1.6116 1.9591 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7776 -0.9391 2.2802 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9493 -1.5066 1.7873 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8298 -0.6434 0.9806 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8977 -0.0338 1.8740 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3282 0.7206 3.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6468 0.8445 1.0901 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7881 -1.1768 2.3269 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7188 -1.4362 1.3223 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0720 -1.2187 1.5685 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1262 -1.4737 0.5466 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3883 -0.7890 2.7121 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9138 -2.3890 2.6444 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1133 -3.4948 1.6562 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6124 -2.0416 2.8912 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9997 2.3033 2.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5904 1.6489 2.9764 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5870 2.9751 1.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0224 -2.3331 0.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6730 4.4559 -2.7423 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2867 5.0071 -1.7023 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9563 4.9564 -1.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9452 2.9186 -0.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7087 3.7390 -3.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2853 4.7972 -2.8332 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9013 6.8110 -0.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6893 6.5439 -1.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4964 6.5252 -1.9072 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3477 4.8802 -3.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9587 3.1694 -3.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2906 3.5390 -4.4127 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5346 1.6423 -3.9284 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8713 -0.9228 -1.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8574 -1.2481 -2.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2923 -0.5803 -3.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4370 -2.7656 -4.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5417 -3.9549 -4.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2113 -4.8337 -1.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9976 -7.0453 -3.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9261 -6.5329 -2.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6211 -6.3524 -3.8676 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7637 -4.0377 -1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3510 -2.2469 0.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0468 -2.4704 -0.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0468 -3.8589 0.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7045 1.4427 -2.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1241 1.8954 0.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2830 0.5980 0.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8093 4.2584 1.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5368 1.3254 5.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5603 1.5767 3.6883 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5899 -0.1215 2.3703 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0322 -2.9342 3.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4579 -4.6910 1.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -3.0139 3.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8565 -1.5963 3.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8870 -2.5079 1.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 -2.4204 1.1849 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3393 0.1014 0.3533 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -1.2784 0.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1759 1.7539 2.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4379 0.2176 3.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0871 0.7167 3.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7598 0.4218 0.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3108 -0.8059 3.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0884 -1.0938 0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2232 -2.5544 0.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9234 -0.8821 -0.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3278 -2.7834 3.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2559 -3.6258 0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0756 -3.3713 1.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2412 -4.5108 2.1369 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 10 15 1 0 0 0 0 15 16 1 0 0 0 0 17 16 1 1 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 17 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 6 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 1 1 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 31 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 40 41 1 1 0 0 0 40 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 51 53 1 0 0 0 0 5 54 1 0 0 0 0 54 55 2 0 0 0 0 54 56 1 0 0 0 0 56 57 1 0 0 0 0 56 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 63 65 1 6 0 0 0 63 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 68 70 2 0 0 0 0 66 71 1 0 0 0 0 71 72 1 0 0 0 0 71 73 1 0 0 0 0 14 3 1 0 0 0 0 24 15 1 0 0 0 0 38 27 1 0 0 0 0 53 43 1 0 0 0 0 73 61 1 0 0 0 0 59 4 1 0 0 0 0 14 8 1 0 0 0 0 40 17 1 0 0 0 0 53 46 2 0 0 0 0 39 9 1 0 0 0 0 1 74 1 0 0 0 0 1 75 1 0 0 0 0 1 76 1 0 0 0 0 7 77 1 0 0 0 0 12 78 1 0 0 0 0 12 79 1 0 0 0 0 12 80 1 0 0 0 0 13 81 1 0 0 0 0 15 82 1 6 0 0 0 18 83 1 6 0 0 0 20 84 1 0 0 0 0 20 85 1 0 0 0 0 20 86 1 0 0 0 0 22 87 1 0 0 0 0 22 88 1 0 0 0 0 22 89 1 0 0 0 0 24 90 1 6 0 0 0 27 91 1 1 0 0 0 28 92 1 0 0 0 0 28 93 1 0 0 0 0 29 94 1 6 0 0 0 30 95 1 0 0 0 0 32 96 1 0 0 0 0 34 97 1 0 0 0 0 34 98 1 0 0 0 0 34 99 1 0 0 0 0 36100 1 1 0 0 0 37101 1 0 0 0 0 37102 1 0 0 0 0 37103 1 0 0 0 0 41104 1 0 0 0 0 42105 1 0 0 0 0 42106 1 0 0 0 0 44107 1 0 0 0 0 49108 1 0 0 0 0 49109 1 0 0 0 0 50110 1 0 0 0 0 56111 1 1 0 0 0 57112 1 0 0 0 0 58113 1 0 0 0 0 58114 1 0 0 0 0 59115 1 6 0 0 0 61116 1 6 0 0 0 62117 1 0 0 0 0 62118 1 0 0 0 0 64119 1 0 0 0 0 64120 1 0 0 0 0 64121 1 0 0 0 0 65122 1 0 0 0 0 66123 1 1 0 0 0 69124 1 0 0 0 0 69125 1 0 0 0 0 69126 1 0 0 0 0 71127 1 1 0 0 0 72128 1 0 0 0 0 72129 1 0 0 0 0 72130 1 0 0 0 0 M END 3D MOL for NP0005160 (Gutingimycin)RDKit 3D 130139 0 0 0 0 0 0 0 0999 V2000 4.0506 2.0624 2.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9720 1.1923 1.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8169 0.4727 0.7626 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6661 -0.7966 1.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4231 -1.4159 0.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4534 -0.7806 0.1883 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7277 -1.4344 -0.0872 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6503 0.5075 -0.2696 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 1.1602 -1.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1537 2.4375 -1.5132 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0573 3.0665 -1.2136 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2496 4.4431 -1.7343 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0106 2.4134 -0.4667 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8344 1.1402 0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 3.1180 -2.3410 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1409 3.8096 -1.6364 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3509 3.1788 -1.8648 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5213 4.0876 -1.9712 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7776 4.9082 -0.8950 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6786 6.2399 -1.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6663 3.4258 -2.4101 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0911 3.8233 -3.6744 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1496 2.7666 -3.2439 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9736 2.0578 -3.0182 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5028 1.0037 -2.0689 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0786 0.0302 -2.8165 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7297 -1.0127 -2.2404 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0561 -1.3388 -2.8713 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0753 -2.7080 -3.5115 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.3859 -2.9830 -3.9034 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6294 -3.7897 -2.5505 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6556 -4.2612 -1.7571 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1004 -4.9166 -3.3634 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7054 -6.2858 -3.2148 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1850 -4.7235 -4.1406 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5335 -3.2426 -1.6354 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0420 -2.9404 -0.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9531 -2.2055 -2.3242 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5131 0.4298 -1.2617 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4885 1.8499 -1.2396 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7433 1.3587 -1.6260 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2164 1.6935 0.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9790 2.4265 1.1620 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6896 3.6421 1.6641 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6303 3.9723 2.5465 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5352 2.9909 2.6336 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6674 2.8393 3.3906 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4106 1.7276 3.3026 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5926 1.5313 4.0783 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0287 0.7586 2.4579 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9084 0.8830 1.6936 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5529 -0.0213 0.9102 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1128 2.0258 1.7587 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2703 -2.7639 1.4565 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6768 -3.6041 0.7432 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7928 -3.1155 2.7849 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1543 -4.4855 2.8410 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9842 -2.3063 3.1349 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6539 -1.6116 1.9591 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7776 -0.9391 2.2802 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9493 -1.5066 1.7873 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8298 -0.6434 0.9806 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8977 -0.0338 1.8740 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3282 0.7206 3.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6468 0.8445 1.0901 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7881 -1.1768 2.3269 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7188 -1.4362 1.3223 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0720 -1.2187 1.5685 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1262 -1.4737 0.5466 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3883 -0.7890 2.7121 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9138 -2.3890 2.6444 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1133 -3.4948 1.6562 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6124 -2.0416 2.8912 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9997 2.3033 2.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5904 1.6489 2.9764 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5870 2.9751 1.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0224 -2.3331 0.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6730 4.4559 -2.7423 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2867 5.0071 -1.7023 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9563 4.9564 -1.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9452 2.9186 -0.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7087 3.7390 -3.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2853 4.7972 -2.8332 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9013 6.8110 -0.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6893 6.5439 -1.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4964 6.5252 -1.9072 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3477 4.8802 -3.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9587 3.1694 -3.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2906 3.5390 -4.4127 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5346 1.6423 -3.9284 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8713 -0.9228 -1.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8574 -1.2481 -2.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2923 -0.5803 -3.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4370 -2.7656 -4.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5417 -3.9549 -4.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2113 -4.8337 -1.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9976 -7.0453 -3.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9261 -6.5329 -2.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6211 -6.3524 -3.8676 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7637 -4.0377 -1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3510 -2.2469 0.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0468 -2.4704 -0.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0468 -3.8589 0.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7045 1.4427 -2.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1241 1.8954 0.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2830 0.5980 0.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8093 4.2584 1.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5368 1.3254 5.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5603 1.5767 3.6883 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5899 -0.1215 2.3703 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0322 -2.9342 3.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4579 -4.6910 1.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -3.0139 3.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8565 -1.5963 3.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8870 -2.5079 1.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 -2.4204 1.1849 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3393 0.1014 0.3533 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -1.2784 0.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1759 1.7539 2.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4379 0.2176 3.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0871 0.7167 3.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7598 0.4218 0.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3108 -0.8059 3.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0884 -1.0938 0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2232 -2.5544 0.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9234 -0.8821 -0.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3278 -2.7834 3.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2559 -3.6258 0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0756 -3.3713 1.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2412 -4.5108 2.1369 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 2 0 10 15 1 0 15 16 1 0 17 16 1 1 17 18 1 0 18 19 1 0 19 20 1 0 18 21 1 0 21 22 1 0 17 23 1 0 23 24 1 0 24 25 1 0 25 26 1 6 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 31 32 1 1 31 33 1 0 33 34 1 0 33 35 2 0 31 36 1 0 36 37 1 0 36 38 1 0 25 39 1 0 25 40 1 0 40 41 1 1 40 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 48 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 5 54 1 0 54 55 2 0 54 56 1 0 56 57 1 0 56 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 63 65 1 6 63 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 68 70 2 0 66 71 1 0 71 72 1 0 71 73 1 0 14 3 1 0 24 15 1 0 38 27 1 0 53 43 1 0 73 61 1 0 59 4 1 0 14 8 1 0 40 17 1 0 53 46 2 0 39 9 1 0 1 74 1 0 1 75 1 0 1 76 1 0 7 77 1 0 12 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 15 82 1 6 18 83 1 6 20 84 1 0 20 85 1 0 20 86 1 0 22 87 1 0 22 88 1 0 22 89 1 0 24 90 1 6 27 91 1 1 28 92 1 0 28 93 1 0 29 94 1 6 30 95 1 0 32 96 1 0 34 97 1 0 34 98 1 0 34 99 1 0 36100 1 1 37101 1 0 37102 1 0 37103 1 0 41104 1 0 42105 1 0 42106 1 0 44107 1 0 49108 1 0 49109 1 0 50110 1 0 56111 1 1 57112 1 0 58113 1 0 58114 1 0 59115 1 6 61116 1 6 62117 1 0 62118 1 0 64119 1 0 64120 1 0 64121 1 0 65122 1 0 66123 1 1 69124 1 0 69125 1 0 69126 1 0 71127 1 1 72128 1 0 72129 1 0 72130 1 0 M END 3D SDF for NP0005160 (Gutingimycin)Mrv1652307012118013D 130139 0 0 0 0 999 V2000 4.0506 2.0624 2.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9720 1.1923 1.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8169 0.4727 0.7626 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6661 -0.7966 1.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4231 -1.4159 0.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4534 -0.7806 0.1883 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7277 -1.4344 -0.0872 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6503 0.5075 -0.2696 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 1.1602 -1.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1537 2.4375 -1.5132 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0573 3.0665 -1.2136 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2496 4.4431 -1.7343 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0106 2.4134 -0.4667 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8344 1.1402 0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 3.1180 -2.3410 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1409 3.8096 -1.6364 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3509 3.1788 -1.8648 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5213 4.0876 -1.9712 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7776 4.9082 -0.8950 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6786 6.2399 -1.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6663 3.4258 -2.4101 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0911 3.8233 -3.6744 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1496 2.7666 -3.2439 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9736 2.0578 -3.0182 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5028 1.0037 -2.0689 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0786 0.0302 -2.8165 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7297 -1.0127 -2.2404 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0561 -1.3388 -2.8713 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0753 -2.7080 -3.5115 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.3859 -2.9830 -3.9034 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6294 -3.7897 -2.5505 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6556 -4.2612 -1.7571 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1004 -4.9166 -3.3634 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7054 -6.2858 -3.2148 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1850 -4.7235 -4.1406 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5335 -3.2426 -1.6354 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0420 -2.9404 -0.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9531 -2.2055 -2.3242 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5131 0.4298 -1.2617 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4885 1.8499 -1.2396 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7433 1.3587 -1.6260 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2164 1.6935 0.1972 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9790 2.4265 1.1620 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6896 3.6421 1.6641 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6303 3.9723 2.5465 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5352 2.9909 2.6336 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6674 2.8393 3.3906 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4106 1.7276 3.3026 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5926 1.5313 4.0783 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0287 0.7586 2.4579 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9084 0.8830 1.6936 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5529 -0.0213 0.9102 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1128 2.0258 1.7587 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2703 -2.7639 1.4565 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6768 -3.6041 0.7432 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7928 -3.1155 2.7849 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1543 -4.4855 2.8410 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9842 -2.3063 3.1349 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6539 -1.6116 1.9591 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7776 -0.9391 2.2802 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9493 -1.5066 1.7873 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8298 -0.6434 0.9806 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8977 -0.0338 1.8740 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3282 0.7206 3.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6468 0.8445 1.0901 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7881 -1.1768 2.3269 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7188 -1.4362 1.3223 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0720 -1.2187 1.5685 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1262 -1.4737 0.5466 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3883 -0.7890 2.7121 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9138 -2.3890 2.6444 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1133 -3.4948 1.6562 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6124 -2.0416 2.8912 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9997 2.3033 2.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5904 1.6489 2.9764 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5870 2.9751 1.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0224 -2.3331 0.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6730 4.4559 -2.7423 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2867 5.0071 -1.7023 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9563 4.9564 -1.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9452 2.9186 -0.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7087 3.7390 -3.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2853 4.7972 -2.8332 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9013 6.8110 -0.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6893 6.5439 -1.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4964 6.5252 -1.9072 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3477 4.8802 -3.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9587 3.1694 -3.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2906 3.5390 -4.4127 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5346 1.6423 -3.9284 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8713 -0.9228 -1.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8574 -1.2481 -2.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2923 -0.5803 -3.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4370 -2.7656 -4.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5417 -3.9549 -4.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2113 -4.8337 -1.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9976 -7.0453 -3.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9261 -6.5329 -2.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6211 -6.3524 -3.8676 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7637 -4.0377 -1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3510 -2.2469 0.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0468 -2.4704 -0.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0468 -3.8589 0.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7045 1.4427 -2.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1241 1.8954 0.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2830 0.5980 0.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8093 4.2584 1.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5368 1.3254 5.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5603 1.5767 3.6883 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5899 -0.1215 2.3703 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0322 -2.9342 3.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4579 -4.6910 1.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -3.0139 3.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8565 -1.5963 3.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8870 -2.5079 1.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 -2.4204 1.1849 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3393 0.1014 0.3533 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -1.2784 0.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1759 1.7539 2.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4379 0.2176 3.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0871 0.7167 3.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7598 0.4218 0.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3108 -0.8059 3.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0884 -1.0938 0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2232 -2.5544 0.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9234 -0.8821 -0.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3278 -2.7834 3.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2559 -3.6258 0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0756 -3.3713 1.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2412 -4.5108 2.1369 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 10 15 1 0 0 0 0 15 16 1 0 0 0 0 17 16 1 1 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 17 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 6 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 1 1 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 31 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 40 41 1 1 0 0 0 40 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 51 53 1 0 0 0 0 5 54 1 0 0 0 0 54 55 2 0 0 0 0 54 56 1 0 0 0 0 56 57 1 0 0 0 0 56 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 63 65 1 6 0 0 0 63 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 68 70 2 0 0 0 0 66 71 1 0 0 0 0 71 72 1 0 0 0 0 71 73 1 0 0 0 0 14 3 1 0 0 0 0 24 15 1 0 0 0 0 38 27 1 0 0 0 0 53 43 1 0 0 0 0 73 61 1 0 0 0 0 59 4 1 0 0 0 0 14 8 1 0 0 0 0 40 17 1 0 0 0 0 53 46 2 0 0 0 0 39 9 1 0 0 0 0 1 74 1 0 0 0 0 1 75 1 0 0 0 0 1 76 1 0 0 0 0 7 77 1 0 0 0 0 12 78 1 0 0 0 0 12 79 1 0 0 0 0 12 80 1 0 0 0 0 13 81 1 0 0 0 0 15 82 1 6 0 0 0 18 83 1 6 0 0 0 20 84 1 0 0 0 0 20 85 1 0 0 0 0 20 86 1 0 0 0 0 22 87 1 0 0 0 0 22 88 1 0 0 0 0 22 89 1 0 0 0 0 24 90 1 6 0 0 0 27 91 1 1 0 0 0 28 92 1 0 0 0 0 28 93 1 0 0 0 0 29 94 1 6 0 0 0 30 95 1 0 0 0 0 32 96 1 0 0 0 0 34 97 1 0 0 0 0 34 98 1 0 0 0 0 34 99 1 0 0 0 0 36100 1 1 0 0 0 37101 1 0 0 0 0 37102 1 0 0 0 0 37103 1 0 0 0 0 41104 1 0 0 0 0 42105 1 0 0 0 0 42106 1 0 0 0 0 44107 1 0 0 0 0 49108 1 0 0 0 0 49109 1 0 0 0 0 50110 1 0 0 0 0 56111 1 1 0 0 0 57112 1 0 0 0 0 58113 1 0 0 0 0 58114 1 0 0 0 0 59115 1 6 0 0 0 61116 1 6 0 0 0 62117 1 0 0 0 0 62118 1 0 0 0 0 64119 1 0 0 0 0 64120 1 0 0 0 0 64121 1 0 0 0 0 65122 1 0 0 0 0 66123 1 1 0 0 0 69124 1 0 0 0 0 69125 1 0 0 0 0 69126 1 0 0 0 0 71127 1 1 0 0 0 72128 1 0 0 0 0 72129 1 0 0 0 0 72130 1 0 0 0 0 M END > <DATABASE_ID> NP0005160 > <DATABASE_NAME> NP-MRD > <SMILES> [H]OC1=C2C(=O)[C@@]([H])(O[H])C([H])([H])[C@]([H])(O[C@]3([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(OC(=O)C([H])([H])[H])[C@](O[H])(C([H])([H])[H])C3([H])[H])C2=C(OC([H])([H])[H])C2=C([H])C(=C3C(O[C@]4(O[C@]5([H])O[C@@]([H])(C([H])([H])[H])[C@](O[H])(C(=O)C([H])([H])[H])[C@@]([H])(O[H])C5([H])[H])[C@@]5([H])O[C@@](O[C@@]35[H])(C([H])(OC([H])([H])[H])OC([H])([H])[H])[C@]4(O[H])C([H])([H])N3C([H])=NC4=C3C(=O)N([H])C(=N4)N([H])[H])=C12)C([H])([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C47H57N5O21/c1-16-10-21-28(33(58)30-29(34(21)63-7)23(11-22(55)32(30)57)69-26-13-43(6,60)37(17(2)66-26)68-20(5)54)35-27(16)36-38-46(71-35,70-25-12-24(56)45(62,18(3)53)19(4)67-25)44(61,47(72-36,73-38)41(64-8)65-9)14-52-15-49-39-31(52)40(59)51-42(48)50-39/h10,15,17,19,22-26,36-38,41,55-56,58,60-62H,11-14H2,1-9H3,(H3,48,50,51,59)/t17-,19-,22-,23-,24-,25-,26-,36-,37+,38-,43-,44-,45+,46+,47-/m0/s1 > <INCHI_KEY> AQNXBHLKTFXZNI-SOROEEJSSA-N > <FORMULA> C47H57N5O21 > <MOLECULAR_WEIGHT> 1027.987 > <EXACT_MASS> 1027.354603875 > <JCHEM_ACCEPTOR_COUNT> 23 > <JCHEM_ATOM_COUNT> 130 > <JCHEM_AVERAGE_POLARIZABILITY> 102.8469440731503 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 8 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (2S,3R,4S,6R)-6-{[(1S,8S,10S,17S,18S,19R,21S)-17-{[(2S,4S,5S,6S)-5-acetyl-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-18-[(2-amino-6-oxo-6,7-dihydro-1H-purin-7-yl)methyl]-19-(dimethoxymethyl)-10,13,18-trihydroxy-6-methoxy-3-methyl-11-oxo-16,20,22-trioxahexacyclo[17.2.1.0^{2,15}.0^{5,14}.0^{7,12}.0^{17,21}]docosa-2,4,6,12,14-pentaen-8-yl]oxy}-4-hydroxy-2,4-dimethyloxan-3-yl acetate > <ALOGPS_LOGP> 0.42 > <JCHEM_LOGP> 1.0859176136666684 > <ALOGPS_LOGS> -2.93 > <JCHEM_MDDR_LIKE_RULE> 1 > <JCHEM_NUMBER_OF_RINGS> 10 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA> 10.27860188681009 > <JCHEM_PKA_STRONGEST_ACIDIC> 8.20877279205025 > <JCHEM_PKA_STRONGEST_BASIC> -0.9715956504201696 > <JCHEM_POLAR_SURFACE_AREA> 359.4200000000001 > <JCHEM_REFRACTIVITY> 242.83810000000005 > <JCHEM_ROTATABLE_BOND_COUNT> 13 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 1.21e+00 g/l > <JCHEM_TRADITIONAL_IUPAC> (2S,3R,4S,6R)-6-{[(1S,8S,10S,17S,18S,19R,21S)-17-{[(2S,4S,5S,6S)-5-acetyl-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-18-[(2-amino-6-oxo-1H-purin-7-yl)methyl]-19-(dimethoxymethyl)-10,13,18-trihydroxy-6-methoxy-3-methyl-11-oxo-16,20,22-trioxahexacyclo[17.2.1.0^{2,15}.0^{5,14}.0^{7,12}.0^{17,21}]docosa-2,4,6,12,14-pentaen-8-yl]oxy}-4-hydroxy-2,4-dimethyloxan-3-yl acetate > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0005160 (Gutingimycin)RDKit 3D 130139 0 0 0 0 0 0 0 0999 V2000 4.0506 2.0624 2.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9720 1.1923 1.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8169 0.4727 0.7626 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6661 -0.7966 1.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4231 -1.4159 0.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4534 -0.7806 0.1883 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7277 -1.4344 -0.0872 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6503 0.5075 -0.2696 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 1.1602 -1.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1537 2.4375 -1.5132 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0573 3.0665 -1.2136 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2496 4.4431 -1.7343 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0106 2.4134 -0.4667 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8344 1.1402 0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 3.1180 -2.3410 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1409 3.8096 -1.6364 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3509 3.1788 -1.8648 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5213 4.0876 -1.9712 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7776 4.9082 -0.8950 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6786 6.2399 -1.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6663 3.4258 -2.4101 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0911 3.8233 -3.6744 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1496 2.7666 -3.2439 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9736 2.0578 -3.0182 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5028 1.0037 -2.0689 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0786 0.0302 -2.8165 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7297 -1.0127 -2.2404 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0561 -1.3388 -2.8713 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0753 -2.7080 -3.5115 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.3859 -2.9830 -3.9034 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6294 -3.7897 -2.5505 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6556 -4.2612 -1.7571 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1004 -4.9166 -3.3634 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7054 -6.2858 -3.2148 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1850 -4.7235 -4.1406 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5335 -3.2426 -1.6354 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0420 -2.9404 -0.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9531 -2.2055 -2.3242 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5131 0.4298 -1.2617 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4885 1.8499 -1.2396 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7433 1.3587 -1.6260 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2164 1.6935 0.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9790 2.4265 1.1620 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6896 3.6421 1.6641 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6303 3.9723 2.5465 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5352 2.9909 2.6336 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6674 2.8393 3.3906 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4106 1.7276 3.3026 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5926 1.5313 4.0783 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0287 0.7586 2.4579 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9084 0.8830 1.6936 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5529 -0.0213 0.9102 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1128 2.0258 1.7587 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2703 -2.7639 1.4565 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6768 -3.6041 0.7432 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7928 -3.1155 2.7849 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1543 -4.4855 2.8410 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9842 -2.3063 3.1349 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6539 -1.6116 1.9591 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7776 -0.9391 2.2802 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9493 -1.5066 1.7873 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8298 -0.6434 0.9806 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8977 -0.0338 1.8740 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3282 0.7206 3.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6468 0.8445 1.0901 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7881 -1.1768 2.3269 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7188 -1.4362 1.3223 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0720 -1.2187 1.5685 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1262 -1.4737 0.5466 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3883 -0.7890 2.7121 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9138 -2.3890 2.6444 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1133 -3.4948 1.6562 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6124 -2.0416 2.8912 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9997 2.3033 2.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5904 1.6489 2.9764 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5870 2.9751 1.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0224 -2.3331 0.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6730 4.4559 -2.7423 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2867 5.0071 -1.7023 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9563 4.9564 -1.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9452 2.9186 -0.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7087 3.7390 -3.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2853 4.7972 -2.8332 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9013 6.8110 -0.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6893 6.5439 -1.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4964 6.5252 -1.9072 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3477 4.8802 -3.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9587 3.1694 -3.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2906 3.5390 -4.4127 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5346 1.6423 -3.9284 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8713 -0.9228 -1.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8574 -1.2481 -2.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2923 -0.5803 -3.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4370 -2.7656 -4.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5417 -3.9549 -4.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2113 -4.8337 -1.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9976 -7.0453 -3.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9261 -6.5329 -2.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6211 -6.3524 -3.8676 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7637 -4.0377 -1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3510 -2.2469 0.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0468 -2.4704 -0.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0468 -3.8589 0.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7045 1.4427 -2.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1241 1.8954 0.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2830 0.5980 0.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8093 4.2584 1.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5368 1.3254 5.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5603 1.5767 3.6883 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5899 -0.1215 2.3703 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0322 -2.9342 3.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4579 -4.6910 1.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -3.0139 3.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8565 -1.5963 3.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8870 -2.5079 1.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 -2.4204 1.1849 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3393 0.1014 0.3533 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -1.2784 0.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1759 1.7539 2.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4379 0.2176 3.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0871 0.7167 3.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7598 0.4218 0.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3108 -0.8059 3.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0884 -1.0938 0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2232 -2.5544 0.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9234 -0.8821 -0.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3278 -2.7834 3.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2559 -3.6258 0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0756 -3.3713 1.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2412 -4.5108 2.1369 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 2 0 10 15 1 0 15 16 1 0 17 16 1 1 17 18 1 0 18 19 1 0 19 20 1 0 18 21 1 0 21 22 1 0 17 23 1 0 23 24 1 0 24 25 1 0 25 26 1 6 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 31 32 1 1 31 33 1 0 33 34 1 0 33 35 2 0 31 36 1 0 36 37 1 0 36 38 1 0 25 39 1 0 25 40 1 0 40 41 1 1 40 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 48 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 5 54 1 0 54 55 2 0 54 56 1 0 56 57 1 0 56 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 63 65 1 6 63 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 68 70 2 0 66 71 1 0 71 72 1 0 71 73 1 0 14 3 1 0 24 15 1 0 38 27 1 0 53 43 1 0 73 61 1 0 59 4 1 0 14 8 1 0 40 17 1 0 53 46 2 0 39 9 1 0 1 74 1 0 1 75 1 0 1 76 1 0 7 77 1 0 12 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 15 82 1 6 18 83 1 6 20 84 1 0 20 85 1 0 20 86 1 0 22 87 1 0 22 88 1 0 22 89 1 0 24 90 1 6 27 91 1 1 28 92 1 0 28 93 1 0 29 94 1 6 30 95 1 0 32 96 1 0 34 97 1 0 34 98 1 0 34 99 1 0 36100 1 1 37101 1 0 37102 1 0 37103 1 0 41104 1 0 42105 1 0 42106 1 0 44107 1 0 49108 1 0 49109 1 0 50110 1 0 56111 1 1 57112 1 0 58113 1 0 58114 1 0 59115 1 6 61116 1 6 62117 1 0 62118 1 0 64119 1 0 64120 1 0 64121 1 0 65122 1 0 66123 1 1 69124 1 0 69125 1 0 69126 1 0 71127 1 1 72128 1 0 72129 1 0 72130 1 0 M END PDB for NP0005160 (Gutingimycin)HEADER PROTEIN 01-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 01-JUL-21 0 HETATM 1 C UNK 0 4.051 2.062 2.141 0.00 0.00 C+0 HETATM 2 O UNK 0 3.972 1.192 1.010 0.00 0.00 O+0 HETATM 3 C UNK 0 2.817 0.473 0.763 0.00 0.00 C+0 HETATM 4 C UNK 0 2.666 -0.797 1.230 0.00 0.00 C+0 HETATM 5 C UNK 0 1.423 -1.416 0.914 0.00 0.00 C+0 HETATM 6 C UNK 0 0.453 -0.781 0.188 0.00 0.00 C+0 HETATM 7 O UNK 0 -0.728 -1.434 -0.087 0.00 0.00 O+0 HETATM 8 C UNK 0 0.650 0.507 -0.270 0.00 0.00 C+0 HETATM 9 C UNK 0 -0.336 1.160 -1.030 0.00 0.00 C+0 HETATM 10 C UNK 0 -0.154 2.438 -1.513 0.00 0.00 C+0 HETATM 11 C UNK 0 1.057 3.067 -1.214 0.00 0.00 C+0 HETATM 12 C UNK 0 1.250 4.443 -1.734 0.00 0.00 C+0 HETATM 13 C UNK 0 2.011 2.413 -0.467 0.00 0.00 C+0 HETATM 14 C UNK 0 1.834 1.140 0.016 0.00 0.00 C+0 HETATM 15 C UNK 0 -1.171 3.118 -2.341 0.00 0.00 C+0 HETATM 16 O UNK 0 -2.141 3.810 -1.636 0.00 0.00 O+0 HETATM 17 C UNK 0 -3.351 3.179 -1.865 0.00 0.00 C+0 HETATM 18 C UNK 0 -4.521 4.088 -1.971 0.00 0.00 C+0 HETATM 19 O UNK 0 -4.778 4.908 -0.895 0.00 0.00 O+0 HETATM 20 C UNK 0 -4.679 6.240 -1.192 0.00 0.00 C+0 HETATM 21 O UNK 0 -5.666 3.426 -2.410 0.00 0.00 O+0 HETATM 22 C UNK 0 -6.091 3.823 -3.674 0.00 0.00 C+0 HETATM 23 O UNK 0 -3.150 2.767 -3.244 0.00 0.00 O+0 HETATM 24 C UNK 0 -1.974 2.058 -3.018 0.00 0.00 C+0 HETATM 25 C UNK 0 -2.503 1.004 -2.069 0.00 0.00 C+0 HETATM 26 O UNK 0 -3.079 0.030 -2.817 0.00 0.00 O+0 HETATM 27 C UNK 0 -3.730 -1.013 -2.240 0.00 0.00 C+0 HETATM 28 C UNK 0 -5.056 -1.339 -2.871 0.00 0.00 C+0 HETATM 29 C UNK 0 -5.075 -2.708 -3.511 0.00 0.00 C+0 HETATM 30 O UNK 0 -6.386 -2.983 -3.903 0.00 0.00 O+0 HETATM 31 C UNK 0 -4.629 -3.790 -2.551 0.00 0.00 C+0 HETATM 32 O UNK 0 -5.656 -4.261 -1.757 0.00 0.00 O+0 HETATM 33 C UNK 0 -4.100 -4.917 -3.363 0.00 0.00 C+0 HETATM 34 C UNK 0 -4.705 -6.286 -3.215 0.00 0.00 C+0 HETATM 35 O UNK 0 -3.185 -4.723 -4.141 0.00 0.00 O+0 HETATM 36 C UNK 0 -3.534 -3.243 -1.635 0.00 0.00 C+0 HETATM 37 C UNK 0 -4.042 -2.940 -0.273 0.00 0.00 C+0 HETATM 38 O UNK 0 -2.953 -2.205 -2.324 0.00 0.00 O+0 HETATM 39 O UNK 0 -1.513 0.430 -1.262 0.00 0.00 O+0 HETATM 40 C UNK 0 -3.489 1.850 -1.240 0.00 0.00 C+0 HETATM 41 O UNK 0 -4.743 1.359 -1.626 0.00 0.00 O+0 HETATM 42 C UNK 0 -3.216 1.694 0.197 0.00 0.00 C+0 HETATM 43 N UNK 0 -3.979 2.426 1.162 0.00 0.00 N+0 HETATM 44 C UNK 0 -3.690 3.642 1.664 0.00 0.00 C+0 HETATM 45 N UNK 0 -4.630 3.972 2.547 0.00 0.00 N+0 HETATM 46 C UNK 0 -5.535 2.991 2.634 0.00 0.00 C+0 HETATM 47 N UNK 0 -6.667 2.839 3.391 0.00 0.00 N+0 HETATM 48 C UNK 0 -7.411 1.728 3.303 0.00 0.00 C+0 HETATM 49 N UNK 0 -8.593 1.531 4.078 0.00 0.00 N+0 HETATM 50 N UNK 0 -7.029 0.759 2.458 0.00 0.00 N+0 HETATM 51 C UNK 0 -5.908 0.883 1.694 0.00 0.00 C+0 HETATM 52 O UNK 0 -5.553 -0.021 0.910 0.00 0.00 O+0 HETATM 53 C UNK 0 -5.113 2.026 1.759 0.00 0.00 C+0 HETATM 54 C UNK 0 1.270 -2.764 1.456 0.00 0.00 C+0 HETATM 55 O UNK 0 0.677 -3.604 0.743 0.00 0.00 O+0 HETATM 56 C UNK 0 1.793 -3.115 2.785 0.00 0.00 C+0 HETATM 57 O UNK 0 2.154 -4.486 2.841 0.00 0.00 O+0 HETATM 58 C UNK 0 2.984 -2.306 3.135 0.00 0.00 C+0 HETATM 59 C UNK 0 3.654 -1.612 1.959 0.00 0.00 C+0 HETATM 60 O UNK 0 4.778 -0.939 2.280 0.00 0.00 O+0 HETATM 61 C UNK 0 5.949 -1.507 1.787 0.00 0.00 C+0 HETATM 62 C UNK 0 6.830 -0.643 0.981 0.00 0.00 C+0 HETATM 63 C UNK 0 7.898 -0.034 1.874 0.00 0.00 C+0 HETATM 64 C UNK 0 7.328 0.721 3.034 0.00 0.00 C+0 HETATM 65 O UNK 0 8.647 0.845 1.090 0.00 0.00 O+0 HETATM 66 C UNK 0 8.788 -1.177 2.327 0.00 0.00 C+0 HETATM 67 O UNK 0 9.719 -1.436 1.322 0.00 0.00 O+0 HETATM 68 C UNK 0 11.072 -1.219 1.569 0.00 0.00 C+0 HETATM 69 C UNK 0 12.126 -1.474 0.547 0.00 0.00 C+0 HETATM 70 O UNK 0 11.388 -0.789 2.712 0.00 0.00 O+0 HETATM 71 C UNK 0 7.914 -2.389 2.644 0.00 0.00 C+0 HETATM 72 C UNK 0 8.113 -3.495 1.656 0.00 0.00 C+0 HETATM 73 O UNK 0 6.612 -2.042 2.891 0.00 0.00 O+0 HETATM 74 H UNK 0 3.000 2.303 2.419 0.00 0.00 H+0 HETATM 75 H UNK 0 4.590 1.649 2.976 0.00 0.00 H+0 HETATM 76 H UNK 0 4.587 2.975 1.787 0.00 0.00 H+0 HETATM 77 H UNK 0 -1.022 -2.333 0.162 0.00 0.00 H+0 HETATM 78 H UNK 0 1.673 4.456 -2.742 0.00 0.00 H+0 HETATM 79 H UNK 0 0.287 5.007 -1.702 0.00 0.00 H+0 HETATM 80 H UNK 0 1.956 4.956 -1.036 0.00 0.00 H+0 HETATM 81 H UNK 0 2.945 2.919 -0.248 0.00 0.00 H+0 HETATM 82 H UNK 0 -0.709 3.739 -3.140 0.00 0.00 H+0 HETATM 83 H UNK 0 -4.285 4.797 -2.833 0.00 0.00 H+0 HETATM 84 H UNK 0 -4.901 6.811 -0.245 0.00 0.00 H+0 HETATM 85 H UNK 0 -3.689 6.544 -1.614 0.00 0.00 H+0 HETATM 86 H UNK 0 -5.496 6.525 -1.907 0.00 0.00 H+0 HETATM 87 H UNK 0 -6.348 4.880 -3.757 0.00 0.00 H+0 HETATM 88 H UNK 0 -6.959 3.169 -3.963 0.00 0.00 H+0 HETATM 89 H UNK 0 -5.291 3.539 -4.413 0.00 0.00 H+0 HETATM 90 H UNK 0 -1.535 1.642 -3.928 0.00 0.00 H+0 HETATM 91 H UNK 0 -3.871 -0.923 -1.143 0.00 0.00 H+0 HETATM 92 H UNK 0 -5.857 -1.248 -2.120 0.00 0.00 H+0 HETATM 93 H UNK 0 -5.292 -0.580 -3.660 0.00 0.00 H+0 HETATM 94 H UNK 0 -4.437 -2.766 -4.413 0.00 0.00 H+0 HETATM 95 H UNK 0 -6.542 -3.955 -4.037 0.00 0.00 H+0 HETATM 96 H UNK 0 -5.211 -4.834 -1.052 0.00 0.00 H+0 HETATM 97 H UNK 0 -3.998 -7.045 -3.593 0.00 0.00 H+0 HETATM 98 H UNK 0 -4.926 -6.533 -2.170 0.00 0.00 H+0 HETATM 99 H UNK 0 -5.621 -6.352 -3.868 0.00 0.00 H+0 HETATM 100 H UNK 0 -2.764 -4.038 -1.533 0.00 0.00 H+0 HETATM 101 H UNK 0 -3.351 -2.247 0.239 0.00 0.00 H+0 HETATM 102 H UNK 0 -5.047 -2.470 -0.231 0.00 0.00 H+0 HETATM 103 H UNK 0 -4.047 -3.859 0.368 0.00 0.00 H+0 HETATM 104 H UNK 0 -4.705 1.443 -2.638 0.00 0.00 H+0 HETATM 105 H UNK 0 -2.124 1.895 0.461 0.00 0.00 H+0 HETATM 106 H UNK 0 -3.283 0.598 0.484 0.00 0.00 H+0 HETATM 107 H UNK 0 -2.809 4.258 1.382 0.00 0.00 H+0 HETATM 108 H UNK 0 -8.537 1.325 5.116 0.00 0.00 H+0 HETATM 109 H UNK 0 -9.560 1.577 3.688 0.00 0.00 H+0 HETATM 110 H UNK 0 -7.590 -0.122 2.370 0.00 0.00 H+0 HETATM 111 H UNK 0 1.032 -2.934 3.591 0.00 0.00 H+0 HETATM 112 H UNK 0 2.458 -4.691 1.897 0.00 0.00 H+0 HETATM 113 H UNK 0 3.788 -3.014 3.517 0.00 0.00 H+0 HETATM 114 H UNK 0 2.857 -1.596 3.986 0.00 0.00 H+0 HETATM 115 H UNK 0 3.887 -2.508 1.267 0.00 0.00 H+0 HETATM 116 H UNK 0 5.654 -2.420 1.185 0.00 0.00 H+0 HETATM 117 H UNK 0 6.339 0.101 0.353 0.00 0.00 H+0 HETATM 118 H UNK 0 7.408 -1.278 0.257 0.00 0.00 H+0 HETATM 119 H UNK 0 7.176 1.754 2.717 0.00 0.00 H+0 HETATM 120 H UNK 0 6.438 0.218 3.434 0.00 0.00 H+0 HETATM 121 H UNK 0 8.087 0.717 3.849 0.00 0.00 H+0 HETATM 122 H UNK 0 8.760 0.422 0.190 0.00 0.00 H+0 HETATM 123 H UNK 0 9.311 -0.806 3.255 0.00 0.00 H+0 HETATM 124 H UNK 0 13.088 -1.094 0.941 0.00 0.00 H+0 HETATM 125 H UNK 0 12.223 -2.554 0.334 0.00 0.00 H+0 HETATM 126 H UNK 0 11.923 -0.882 -0.369 0.00 0.00 H+0 HETATM 127 H UNK 0 8.328 -2.783 3.620 0.00 0.00 H+0 HETATM 128 H UNK 0 7.256 -3.626 0.969 0.00 0.00 H+0 HETATM 129 H UNK 0 9.076 -3.371 1.074 0.00 0.00 H+0 HETATM 130 H UNK 0 8.241 -4.511 2.137 0.00 0.00 H+0 CONECT 1 2 74 75 76 CONECT 2 1 3 CONECT 3 2 4 14 CONECT 4 3 5 59 CONECT 5 4 6 54 CONECT 6 5 7 8 CONECT 7 6 77 CONECT 8 6 9 14 CONECT 9 8 10 39 CONECT 10 9 11 15 CONECT 11 10 12 13 CONECT 12 11 78 79 80 CONECT 13 11 14 81 CONECT 14 13 3 8 CONECT 15 10 16 24 82 CONECT 16 15 17 CONECT 17 16 18 23 40 CONECT 18 17 19 21 83 CONECT 19 18 20 CONECT 20 19 84 85 86 CONECT 21 18 22 CONECT 22 21 87 88 89 CONECT 23 17 24 CONECT 24 23 25 15 90 CONECT 25 24 26 39 40 CONECT 26 25 27 CONECT 27 26 28 38 91 CONECT 28 27 29 92 93 CONECT 29 28 30 31 94 CONECT 30 29 95 CONECT 31 29 32 33 36 CONECT 32 31 96 CONECT 33 31 34 35 CONECT 34 33 97 98 99 CONECT 35 33 CONECT 36 31 37 38 100 CONECT 37 36 101 102 103 CONECT 38 36 27 CONECT 39 25 9 CONECT 40 25 41 42 17 CONECT 41 40 104 CONECT 42 40 43 105 106 CONECT 43 42 44 53 CONECT 44 43 45 107 CONECT 45 44 46 CONECT 46 45 47 53 CONECT 47 46 48 CONECT 48 47 49 50 CONECT 49 48 108 109 CONECT 50 48 51 110 CONECT 51 50 52 53 CONECT 52 51 CONECT 53 51 43 46 CONECT 54 5 55 56 CONECT 55 54 CONECT 56 54 57 58 111 CONECT 57 56 112 CONECT 58 56 59 113 114 CONECT 59 58 60 4 115 CONECT 60 59 61 CONECT 61 60 62 73 116 CONECT 62 61 63 117 118 CONECT 63 62 64 65 66 CONECT 64 63 119 120 121 CONECT 65 63 122 CONECT 66 63 67 71 123 CONECT 67 66 68 CONECT 68 67 69 70 CONECT 69 68 124 125 126 CONECT 70 68 CONECT 71 66 72 73 127 CONECT 72 71 128 129 130 CONECT 73 71 61 CONECT 74 1 CONECT 75 1 CONECT 76 1 CONECT 77 7 CONECT 78 12 CONECT 79 12 CONECT 80 12 CONECT 81 13 CONECT 82 15 CONECT 83 18 CONECT 84 20 CONECT 85 20 CONECT 86 20 CONECT 87 22 CONECT 88 22 CONECT 89 22 CONECT 90 24 CONECT 91 27 CONECT 92 28 CONECT 93 28 CONECT 94 29 CONECT 95 30 CONECT 96 32 CONECT 97 34 CONECT 98 34 CONECT 99 34 CONECT 100 36 CONECT 101 37 CONECT 102 37 CONECT 103 37 CONECT 104 41 CONECT 105 42 CONECT 106 42 CONECT 107 44 CONECT 108 49 CONECT 109 49 CONECT 110 50 CONECT 111 56 CONECT 112 57 CONECT 113 58 CONECT 114 58 CONECT 115 59 CONECT 116 61 CONECT 117 62 CONECT 118 62 CONECT 119 64 CONECT 120 64 CONECT 121 64 CONECT 122 65 CONECT 123 66 CONECT 124 69 CONECT 125 69 CONECT 126 69 CONECT 127 71 CONECT 128 72 CONECT 129 72 CONECT 130 72 MASTER 0 0 0 0 0 0 0 0 130 0 278 0 END SMILES for NP0005160 (Gutingimycin)[H]OC1=C2C(=O)[C@@]([H])(O[H])C([H])([H])[C@]([H])(O[C@]3([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(OC(=O)C([H])([H])[H])[C@](O[H])(C([H])([H])[H])C3([H])[H])C2=C(OC([H])([H])[H])C2=C([H])C(=C3C(O[C@]4(O[C@]5([H])O[C@@]([H])(C([H])([H])[H])[C@](O[H])(C(=O)C([H])([H])[H])[C@@]([H])(O[H])C5([H])[H])[C@@]5([H])O[C@@](O[C@@]35[H])(C([H])(OC([H])([H])[H])OC([H])([H])[H])[C@]4(O[H])C([H])([H])N3C([H])=NC4=C3C(=O)N([H])C(=N4)N([H])[H])=C12)C([H])([H])[H] INCHI for NP0005160 (Gutingimycin)InChI=1S/C47H57N5O21/c1-16-10-21-28(33(58)30-29(34(21)63-7)23(11-22(55)32(30)57)69-26-13-43(6,60)37(17(2)66-26)68-20(5)54)35-27(16)36-38-46(71-35,70-25-12-24(56)45(62,18(3)53)19(4)67-25)44(61,47(72-36,73-38)41(64-8)65-9)14-52-15-49-39-31(52)40(59)51-42(48)50-39/h10,15,17,19,22-26,36-38,41,55-56,58,60-62H,11-14H2,1-9H3,(H3,48,50,51,59)/t17-,19-,22-,23-,24-,25-,26-,36-,37+,38-,43-,44-,45+,46+,47-/m0/s1 3D Structure for NP0005160 (Gutingimycin) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms |
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Chemical Formula | C47H57N5O21 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 1027.9870 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 1027.35460 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (2S,3R,4S,6R)-6-{[(1S,8S,10S,17S,18S,19R,21S)-17-{[(2S,4S,5S,6S)-5-acetyl-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-18-[(2-amino-6-oxo-6,7-dihydro-1H-purin-7-yl)methyl]-19-(dimethoxymethyl)-10,13,18-trihydroxy-6-methoxy-3-methyl-11-oxo-16,20,22-trioxahexacyclo[17.2.1.0^{2,15}.0^{5,14}.0^{7,12}.0^{17,21}]docosa-2,4,6,12,14-pentaen-8-yl]oxy}-4-hydroxy-2,4-dimethyloxan-3-yl acetate | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (2S,3R,4S,6R)-6-{[(1S,8S,10S,17S,18S,19R,21S)-17-{[(2S,4S,5S,6S)-5-acetyl-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-18-[(2-amino-6-oxo-1H-purin-7-yl)methyl]-19-(dimethoxymethyl)-10,13,18-trihydroxy-6-methoxy-3-methyl-11-oxo-16,20,22-trioxahexacyclo[17.2.1.0^{2,15}.0^{5,14}.0^{7,12}.0^{17,21}]docosa-2,4,6,12,14-pentaen-8-yl]oxy}-4-hydroxy-2,4-dimethyloxan-3-yl acetate | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | COC(OC)[C@]12O[C@@H]3[C@H](O1)[C@@](O[C@H]1CC(O)[C@](O)(C(C)O1)C(C)=O)(OC1=C4C(O)=C5C(=O)C(O)CC(O[C@H]6CC(C)(O)[C@H](OC(C)=O)C(C)O6)C5=C(OC)C4=CC(C)=C31)[C@@]2(O)CN1C=NC2=C1C(=O)NC(N)=N2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C47H57N5O21/c1-16-10-21-28(33(58)30-29(34(21)63-7)23(11-22(55)32(30)57)69-26-13-43(6,60)37(17(2)66-26)68-20(5)54)35-27(16)36-38-46(71-35,70-25-12-24(56)45(62,18(3)53)19(4)67-25)44(61,47(72-36,73-38)41(64-8)65-9)14-52-15-49-39-31(52)40(59)51-42(48)50-39/h10,15,17,19,22-26,36-38,41,55-56,58,60-62H,11-14H2,1-9H3,(H3,48,50,51,59)/t17?,19?,22?,23?,24?,25-,26-,36-,37+,38-,43?,44-,45+,46+,47-/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | AQNXBHLKTFXZNI-SOROEEJSSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species of Origin |
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Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Properties |
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Predicted Properties |
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External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NPAtlas ID | NPA001202 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 10480073 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 21777557 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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