Showing NP-Card for Musettamycin (NP0023274)
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Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2021-01-06 08:22:51 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 17:41:19 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0023274 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Musettamycin | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas![]() | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Musettamycin is found in Actinosporangium sp. C-36145 (ATCC 31127) and Streptomyces. It was first documented in 1977 (PMID: 885813). Based on a literature review very few articles have been published on methyl (1R,2R,4S)-4-{[(2R,4S,5S,6S)-5-{[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0023274 (Musettamycin)Mrv1652307042108173D 96101 0 0 0 0 999 V2000 -5.4762 1.7555 3.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1408 1.1393 3.4145 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9514 1.9392 3.0274 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9420 3.1147 3.7634 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7330 1.0679 3.4099 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3806 0.0783 2.3472 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2455 0.5738 1.6820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8575 -0.2498 1.8970 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2705 -0.8094 0.5567 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9928 0.3187 -0.1773 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0570 0.0939 -1.5785 N 0 0 2 0 0 0 0 0 0 0 0 0 2.7759 -1.0797 -1.9506 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5231 1.2883 -2.2446 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2665 0.5910 0.5309 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3718 -0.0469 0.0107 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3641 0.8235 -0.3955 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5832 0.7084 0.5091 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4692 -0.4560 0.1347 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6501 -0.3424 0.8418 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7631 -0.3047 -1.3640 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3702 0.9292 -1.5798 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4243 -0.3471 -2.0482 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5711 -0.4852 -3.5541 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6806 0.7629 -1.7283 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1137 0.2299 2.0202 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6055 -1.1445 2.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8474 0.5217 2.4771 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4198 -0.1504 1.3235 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1788 0.9420 0.8932 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1298 0.7318 -0.0446 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4053 -0.4914 -0.6098 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6526 -1.5591 -0.1791 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6605 -1.4140 0.7804 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9337 -2.5034 1.1808 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9094 -2.8829 -0.7529 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1953 -3.8177 -0.3246 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9471 -3.0721 -1.7666 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1764 -4.3214 -2.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4914 -5.4467 -1.9436 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1748 -4.4604 -3.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9006 -3.3909 -3.6666 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6955 -2.1449 -3.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4651 -1.0898 -3.6093 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7154 -1.9859 -2.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4371 -0.6815 -1.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1227 0.3190 -2.0032 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8380 2.2098 1.5300 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5624 3.3997 1.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1453 4.0515 2.0901 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6947 3.9322 -0.0974 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4359 5.1066 -0.2842 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6739 2.6556 3.8612 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2203 1.0055 3.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7968 1.8857 2.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1797 0.1108 3.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0440 0.9744 4.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7360 3.2209 4.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8923 1.7817 3.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9899 0.5802 4.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0737 -0.8551 2.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5568 -1.1096 2.5534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8456 -1.7315 0.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3069 -1.0559 0.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3138 1.2164 0.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6305 -0.8176 -2.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0962 -1.7692 -2.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0905 -1.6566 -1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6209 1.8019 -2.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9440 1.9791 -1.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2378 1.0711 -3.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4694 1.7042 0.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9819 1.8675 -0.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2330 0.6435 1.5505 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1901 1.6355 0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9605 -1.4296 0.2934 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6890 -1.1127 1.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4181 -1.0963 -1.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3162 0.9289 -1.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8681 -1.2569 -1.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5731 -0.5133 -4.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1705 -1.3920 -3.7542 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0778 0.4397 -3.9565 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8077 0.9491 2.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4283 -1.1411 3.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8244 -1.8093 2.7839 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0860 -1.6097 1.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7072 1.5879 -0.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2042 -2.5727 1.8397 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7695 -5.6533 -1.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3674 -5.4441 -3.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6798 -3.5227 -4.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1747 -1.2168 -4.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7358 2.4123 1.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4305 5.0985 0.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5828 5.3131 -1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8791 5.9522 0.2129 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 1 1 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 10 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 14 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 6 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 32 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 29 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 48 50 1 0 0 0 0 50 51 1 0 0 0 0 47 3 1 0 0 0 0 27 8 1 0 0 0 0 33 28 1 0 0 0 0 44 37 1 0 0 0 0 24 16 1 0 0 0 0 45 31 1 0 0 0 0 1 52 1 0 0 0 0 1 53 1 0 0 0 0 1 54 1 0 0 0 0 2 55 1 0 0 0 0 2 56 1 0 0 0 0 4 57 1 0 0 0 0 5 58 1 0 0 0 0 5 59 1 0 0 0 0 6 60 1 1 0 0 0 8 61 1 1 0 0 0 9 62 1 0 0 0 0 9 63 1 0 0 0 0 10 64 1 6 0 0 0 12 65 1 0 0 0 0 12 66 1 0 0 0 0 12 67 1 0 0 0 0 13 68 1 0 0 0 0 13 69 1 0 0 0 0 13 70 1 0 0 0 0 14 71 1 1 0 0 0 16 72 1 6 0 0 0 17 73 1 0 0 0 0 17 74 1 0 0 0 0 18 75 1 6 0 0 0 19 76 1 0 0 0 0 20 77 1 6 0 0 0 21 78 1 0 0 0 0 22 79 1 1 0 0 0 23 80 1 0 0 0 0 23 81 1 0 0 0 0 23 82 1 0 0 0 0 25 83 1 1 0 0 0 26 84 1 0 0 0 0 26 85 1 0 0 0 0 26 86 1 0 0 0 0 30 87 1 0 0 0 0 34 88 1 0 0 0 0 39 89 1 0 0 0 0 40 90 1 0 0 0 0 41 91 1 0 0 0 0 43 92 1 0 0 0 0 47 93 1 1 0 0 0 51 94 1 0 0 0 0 51 95 1 0 0 0 0 51 96 1 0 0 0 0 M END 3D MOL for NP0023274 (Musettamycin)RDKit 3D 96101 0 0 0 0 0 0 0 0999 V2000 -5.4762 1.7555 3.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1408 1.1393 3.4145 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9514 1.9392 3.0274 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9420 3.1147 3.7634 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7330 1.0679 3.4099 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3806 0.0783 2.3472 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2455 0.5738 1.6820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8575 -0.2498 1.8970 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2705 -0.8094 0.5567 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9928 0.3187 -0.1773 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0570 0.0939 -1.5785 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7759 -1.0797 -1.9506 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5231 1.2883 -2.2446 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2665 0.5910 0.5309 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3718 -0.0469 0.0107 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3641 0.8235 -0.3955 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5832 0.7084 0.5091 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4692 -0.4560 0.1347 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6501 -0.3424 0.8418 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7631 -0.3047 -1.3640 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3702 0.9292 -1.5798 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4243 -0.3471 -2.0482 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5711 -0.4852 -3.5541 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6806 0.7629 -1.7283 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1137 0.2299 2.0202 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6055 -1.1445 2.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8474 0.5217 2.4771 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4198 -0.1504 1.3235 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1788 0.9420 0.8932 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1298 0.7318 -0.0446 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4053 -0.4914 -0.6098 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6526 -1.5591 -0.1791 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6605 -1.4140 0.7804 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9337 -2.5034 1.1808 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9094 -2.8829 -0.7529 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1953 -3.8177 -0.3246 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9471 -3.0721 -1.7666 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1764 -4.3214 -2.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4914 -5.4467 -1.9436 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1748 -4.4604 -3.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9006 -3.3909 -3.6666 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6955 -2.1449 -3.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4651 -1.0898 -3.6093 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7154 -1.9859 -2.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4371 -0.6815 -1.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1227 0.3190 -2.0032 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8380 2.2098 1.5300 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5624 3.3997 1.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1453 4.0515 2.0901 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6947 3.9322 -0.0974 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4359 5.1066 -0.2842 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6739 2.6556 3.8612 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2203 1.0055 3.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7968 1.8857 2.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1797 0.1108 3.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0440 0.9744 4.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7360 3.2209 4.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8923 1.7817 3.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9899 0.5802 4.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0737 -0.8551 2.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5568 -1.1096 2.5534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8456 -1.7315 0.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3069 -1.0559 0.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3138 1.2164 0.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6305 -0.8176 -2.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0962 -1.7692 -2.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0905 -1.6566 -1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6209 1.8019 -2.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9440 1.9791 -1.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2378 1.0711 -3.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4694 1.7042 0.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9819 1.8675 -0.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2330 0.6435 1.5505 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1901 1.6355 0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9605 -1.4296 0.2934 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6890 -1.1127 1.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4181 -1.0963 -1.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3162 0.9289 -1.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8681 -1.2569 -1.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5731 -0.5133 -4.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1705 -1.3920 -3.7542 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0778 0.4397 -3.9565 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8077 0.9491 2.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4283 -1.1411 3.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8244 -1.8093 2.7839 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0860 -1.6097 1.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7072 1.5879 -0.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2042 -2.5727 1.8397 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7695 -5.6533 -1.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3674 -5.4441 -3.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6798 -3.5227 -4.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1747 -1.2168 -4.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7358 2.4123 1.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4305 5.0985 0.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5828 5.3131 -1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8791 5.9522 0.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 1 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 10 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 22 24 1 0 14 25 1 0 25 26 1 0 25 27 1 0 6 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 32 35 1 0 35 36 2 0 35 37 1 0 37 38 2 0 38 39 1 0 38 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 42 44 2 0 44 45 1 0 45 46 2 0 29 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 50 51 1 0 47 3 1 0 27 8 1 0 33 28 1 0 44 37 1 0 24 16 1 0 45 31 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 1 8 61 1 1 9 62 1 0 9 63 1 0 10 64 1 6 12 65 1 0 12 66 1 0 12 67 1 0 13 68 1 0 13 69 1 0 13 70 1 0 14 71 1 1 16 72 1 6 17 73 1 0 17 74 1 0 18 75 1 6 19 76 1 0 20 77 1 6 21 78 1 0 22 79 1 1 23 80 1 0 23 81 1 0 23 82 1 0 25 83 1 1 26 84 1 0 26 85 1 0 26 86 1 0 30 87 1 0 34 88 1 0 39 89 1 0 40 90 1 0 41 91 1 0 43 92 1 0 47 93 1 1 51 94 1 0 51 95 1 0 51 96 1 0 M END 3D SDF for NP0023274 (Musettamycin)Mrv1652307042108173D 96101 0 0 0 0 999 V2000 -5.4762 1.7555 3.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1408 1.1393 3.4145 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9514 1.9392 3.0274 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9420 3.1147 3.7634 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7330 1.0679 3.4099 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3806 0.0783 2.3472 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2455 0.5738 1.6820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8575 -0.2498 1.8970 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2705 -0.8094 0.5567 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9928 0.3187 -0.1773 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0570 0.0939 -1.5785 N 0 0 2 0 0 0 0 0 0 0 0 0 2.7759 -1.0797 -1.9506 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5231 1.2883 -2.2446 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2665 0.5910 0.5309 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3718 -0.0469 0.0107 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3641 0.8235 -0.3955 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5832 0.7084 0.5091 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4692 -0.4560 0.1347 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6501 -0.3424 0.8418 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7631 -0.3047 -1.3640 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3702 0.9292 -1.5798 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4243 -0.3471 -2.0482 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5711 -0.4852 -3.5541 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6806 0.7629 -1.7283 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1137 0.2299 2.0202 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6055 -1.1445 2.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8474 0.5217 2.4771 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4198 -0.1504 1.3235 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1788 0.9420 0.8932 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1298 0.7318 -0.0446 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4053 -0.4914 -0.6098 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6526 -1.5591 -0.1791 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6605 -1.4140 0.7804 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9337 -2.5034 1.1808 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9094 -2.8829 -0.7529 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1953 -3.8177 -0.3246 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9471 -3.0721 -1.7666 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1764 -4.3214 -2.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4914 -5.4467 -1.9436 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1748 -4.4604 -3.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9006 -3.3909 -3.6666 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6955 -2.1449 -3.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4651 -1.0898 -3.6093 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7154 -1.9859 -2.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4371 -0.6815 -1.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1227 0.3190 -2.0032 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8380 2.2098 1.5300 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5624 3.3997 1.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1453 4.0515 2.0901 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6947 3.9322 -0.0974 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4359 5.1066 -0.2842 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6739 2.6556 3.8612 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2203 1.0055 3.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7968 1.8857 2.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1797 0.1108 3.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0440 0.9744 4.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7360 3.2209 4.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8923 1.7817 3.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9899 0.5802 4.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0737 -0.8551 2.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5568 -1.1096 2.5534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8456 -1.7315 0.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3069 -1.0559 0.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3138 1.2164 0.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6305 -0.8176 -2.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0962 -1.7692 -2.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0905 -1.6566 -1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6209 1.8019 -2.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9440 1.9791 -1.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2378 1.0711 -3.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4694 1.7042 0.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9819 1.8675 -0.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2330 0.6435 1.5505 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1901 1.6355 0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9605 -1.4296 0.2934 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6890 -1.1127 1.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4181 -1.0963 -1.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3162 0.9289 -1.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8681 -1.2569 -1.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5731 -0.5133 -4.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1705 -1.3920 -3.7542 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0778 0.4397 -3.9565 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8077 0.9491 2.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4283 -1.1411 3.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8244 -1.8093 2.7839 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0860 -1.6097 1.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7072 1.5879 -0.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2042 -2.5727 1.8397 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7695 -5.6533 -1.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3674 -5.4441 -3.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6798 -3.5227 -4.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1747 -1.2168 -4.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7358 2.4123 1.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4305 5.0985 0.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5828 5.3131 -1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8791 5.9522 0.2129 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 1 1 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 10 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 14 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 6 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 32 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 29 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 48 50 1 0 0 0 0 50 51 1 0 0 0 0 47 3 1 0 0 0 0 27 8 1 0 0 0 0 33 28 1 0 0 0 0 44 37 1 0 0 0 0 24 16 1 0 0 0 0 45 31 1 0 0 0 0 1 52 1 0 0 0 0 1 53 1 0 0 0 0 1 54 1 0 0 0 0 2 55 1 0 0 0 0 2 56 1 0 0 0 0 4 57 1 0 0 0 0 5 58 1 0 0 0 0 5 59 1 0 0 0 0 6 60 1 1 0 0 0 8 61 1 1 0 0 0 9 62 1 0 0 0 0 9 63 1 0 0 0 0 10 64 1 6 0 0 0 12 65 1 0 0 0 0 12 66 1 0 0 0 0 12 67 1 0 0 0 0 13 68 1 0 0 0 0 13 69 1 0 0 0 0 13 70 1 0 0 0 0 14 71 1 1 0 0 0 16 72 1 6 0 0 0 17 73 1 0 0 0 0 17 74 1 0 0 0 0 18 75 1 6 0 0 0 19 76 1 0 0 0 0 20 77 1 6 0 0 0 21 78 1 0 0 0 0 22 79 1 1 0 0 0 23 80 1 0 0 0 0 23 81 1 0 0 0 0 23 82 1 0 0 0 0 25 83 1 1 0 0 0 26 84 1 0 0 0 0 26 85 1 0 0 0 0 26 86 1 0 0 0 0 30 87 1 0 0 0 0 34 88 1 0 0 0 0 39 89 1 0 0 0 0 40 90 1 0 0 0 0 41 91 1 0 0 0 0 43 92 1 0 0 0 0 47 93 1 1 0 0 0 51 94 1 0 0 0 0 51 95 1 0 0 0 0 51 96 1 0 0 0 0 M END > <DATABASE_ID> NP0023274 > <DATABASE_NAME> NP-MRD > <SMILES> [H]OC1=C2C(=O)C3=C([H])C4=C(C(O[H])=C3C(=O)C2=C(O[H])C([H])=C1[H])[C@@]([H])(O[C@]1([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[C@]2([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])C2([H])[H])[C@@]([H])(N(C([H])([H])[H])C([H])([H])[H])C1([H])[H])C([H])([H])[C@](O[H])(C([H])([H])C([H])([H])[H])[C@]4([H])C(=O)OC([H])([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C36H45NO14/c1-7-36(46)13-22(50-23-11-18(37(4)5)34(15(3)49-23)51-24-12-21(40)30(41)14(2)48-24)25-16(29(36)35(45)47-6)10-17-26(32(25)43)33(44)28-20(39)9-8-19(38)27(28)31(17)42/h8-10,14-15,18,21-24,29-30,34,38-41,43,46H,7,11-13H2,1-6H3/t14-,15-,18-,21-,22-,23-,24-,29-,30+,34+,36+/m0/s1 > <INCHI_KEY> PXKJRTZJMGPOGS-HSCQWZBZSA-N > <FORMULA> C36H45NO14 > <MOLECULAR_WEIGHT> 715.749 > <EXACT_MASS> 715.284005133 > <JCHEM_ACCEPTOR_COUNT> 14 > <JCHEM_ATOM_COUNT> 96 > <JCHEM_AVERAGE_POLARIZABILITY> 73.89646524172176 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 6 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> methyl (1R,2R,4S)-4-{[(2R,4S,5S,6S)-5-{[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate > <ALOGPS_LOGP> 2.24 > <JCHEM_LOGP> 3.0837187098208987 > <ALOGPS_LOGS> -3.11 > <JCHEM_MDDR_LIKE_RULE> 1 > <JCHEM_NUMBER_OF_RINGS> 6 > <JCHEM_PHYSIOLOGICAL_CHARGE> 1 > <JCHEM_PKA> 8.745176616082958 > <JCHEM_PKA_STRONGEST_ACIDIC> 7.497860858818565 > <JCHEM_PKA_STRONGEST_BASIC> 8.19204600618168 > <JCHEM_POLAR_SURFACE_AREA> 221.98 > <JCHEM_REFRACTIVITY> 178.17910000000003 > <JCHEM_ROTATABLE_BOND_COUNT> 8 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 5.56e-01 g/l > <JCHEM_TRADITIONAL_IUPAC> methyl (1R,2R,4S)-4-{[(2R,4S,5S,6S)-5-{[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0023274 (Musettamycin)RDKit 3D 96101 0 0 0 0 0 0 0 0999 V2000 -5.4762 1.7555 3.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1408 1.1393 3.4145 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9514 1.9392 3.0274 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9420 3.1147 3.7634 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7330 1.0679 3.4099 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3806 0.0783 2.3472 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2455 0.5738 1.6820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8575 -0.2498 1.8970 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2705 -0.8094 0.5567 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9928 0.3187 -0.1773 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0570 0.0939 -1.5785 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7759 -1.0797 -1.9506 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5231 1.2883 -2.2446 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2665 0.5910 0.5309 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3718 -0.0469 0.0107 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3641 0.8235 -0.3955 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5832 0.7084 0.5091 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4692 -0.4560 0.1347 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6501 -0.3424 0.8418 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7631 -0.3047 -1.3640 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3702 0.9292 -1.5798 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4243 -0.3471 -2.0482 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5711 -0.4852 -3.5541 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6806 0.7629 -1.7283 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1137 0.2299 2.0202 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6055 -1.1445 2.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8474 0.5217 2.4771 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4198 -0.1504 1.3235 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1788 0.9420 0.8932 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1298 0.7318 -0.0446 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4053 -0.4914 -0.6098 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6526 -1.5591 -0.1791 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6605 -1.4140 0.7804 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9337 -2.5034 1.1808 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9094 -2.8829 -0.7529 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1953 -3.8177 -0.3246 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9471 -3.0721 -1.7666 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1764 -4.3214 -2.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4914 -5.4467 -1.9436 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1748 -4.4604 -3.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9006 -3.3909 -3.6666 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6955 -2.1449 -3.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4651 -1.0898 -3.6093 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7154 -1.9859 -2.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4371 -0.6815 -1.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1227 0.3190 -2.0032 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8380 2.2098 1.5300 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5624 3.3997 1.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1453 4.0515 2.0901 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6947 3.9322 -0.0974 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4359 5.1066 -0.2842 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6739 2.6556 3.8612 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2203 1.0055 3.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7968 1.8857 2.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1797 0.1108 3.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0440 0.9744 4.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7360 3.2209 4.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8923 1.7817 3.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9899 0.5802 4.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0737 -0.8551 2.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5568 -1.1096 2.5534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8456 -1.7315 0.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3069 -1.0559 0.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3138 1.2164 0.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6305 -0.8176 -2.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0962 -1.7692 -2.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0905 -1.6566 -1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6209 1.8019 -2.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9440 1.9791 -1.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2378 1.0711 -3.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4694 1.7042 0.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9819 1.8675 -0.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2330 0.6435 1.5505 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1901 1.6355 0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9605 -1.4296 0.2934 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6890 -1.1127 1.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4181 -1.0963 -1.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3162 0.9289 -1.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8681 -1.2569 -1.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5731 -0.5133 -4.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1705 -1.3920 -3.7542 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0778 0.4397 -3.9565 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8077 0.9491 2.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4283 -1.1411 3.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8244 -1.8093 2.7839 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0860 -1.6097 1.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7072 1.5879 -0.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2042 -2.5727 1.8397 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7695 -5.6533 -1.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3674 -5.4441 -3.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6798 -3.5227 -4.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1747 -1.2168 -4.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7358 2.4123 1.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4305 5.0985 0.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5828 5.3131 -1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8791 5.9522 0.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 1 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 10 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 22 24 1 0 14 25 1 0 25 26 1 0 25 27 1 0 6 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 32 35 1 0 35 36 2 0 35 37 1 0 37 38 2 0 38 39 1 0 38 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 42 44 2 0 44 45 1 0 45 46 2 0 29 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 50 51 1 0 47 3 1 0 27 8 1 0 33 28 1 0 44 37 1 0 24 16 1 0 45 31 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 1 8 61 1 1 9 62 1 0 9 63 1 0 10 64 1 6 12 65 1 0 12 66 1 0 12 67 1 0 13 68 1 0 13 69 1 0 13 70 1 0 14 71 1 1 16 72 1 6 17 73 1 0 17 74 1 0 18 75 1 6 19 76 1 0 20 77 1 6 21 78 1 0 22 79 1 1 23 80 1 0 23 81 1 0 23 82 1 0 25 83 1 1 26 84 1 0 26 85 1 0 26 86 1 0 30 87 1 0 34 88 1 0 39 89 1 0 40 90 1 0 41 91 1 0 43 92 1 0 47 93 1 1 51 94 1 0 51 95 1 0 51 96 1 0 M END PDB for NP0023274 (Musettamycin)HEADER PROTEIN 04-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-JUL-21 0 HETATM 1 C UNK 0 -5.476 1.756 3.207 0.00 0.00 C+0 HETATM 2 C UNK 0 -4.141 1.139 3.414 0.00 0.00 C+0 HETATM 3 C UNK 0 -2.951 1.939 3.027 0.00 0.00 C+0 HETATM 4 O UNK 0 -2.942 3.115 3.763 0.00 0.00 O+0 HETATM 5 C UNK 0 -1.733 1.068 3.410 0.00 0.00 C+0 HETATM 6 C UNK 0 -1.381 0.078 2.347 0.00 0.00 C+0 HETATM 7 O UNK 0 -0.246 0.574 1.682 0.00 0.00 O+0 HETATM 8 C UNK 0 0.858 -0.250 1.897 0.00 0.00 C+0 HETATM 9 C UNK 0 1.270 -0.809 0.557 0.00 0.00 C+0 HETATM 10 C UNK 0 1.993 0.319 -0.177 0.00 0.00 C+0 HETATM 11 N UNK 0 2.057 0.094 -1.579 0.00 0.00 N+0 HETATM 12 C UNK 0 2.776 -1.080 -1.951 0.00 0.00 C+0 HETATM 13 C UNK 0 2.523 1.288 -2.245 0.00 0.00 C+0 HETATM 14 C UNK 0 3.267 0.591 0.531 0.00 0.00 C+0 HETATM 15 O UNK 0 4.372 -0.047 0.011 0.00 0.00 O+0 HETATM 16 C UNK 0 5.364 0.824 -0.396 0.00 0.00 C+0 HETATM 17 C UNK 0 6.583 0.708 0.509 0.00 0.00 C+0 HETATM 18 C UNK 0 7.469 -0.456 0.135 0.00 0.00 C+0 HETATM 19 O UNK 0 8.650 -0.342 0.842 0.00 0.00 O+0 HETATM 20 C UNK 0 7.763 -0.305 -1.364 0.00 0.00 C+0 HETATM 21 O UNK 0 8.370 0.929 -1.580 0.00 0.00 O+0 HETATM 22 C UNK 0 6.424 -0.347 -2.048 0.00 0.00 C+0 HETATM 23 C UNK 0 6.571 -0.485 -3.554 0.00 0.00 C+0 HETATM 24 O UNK 0 5.681 0.763 -1.728 0.00 0.00 O+0 HETATM 25 C UNK 0 3.114 0.230 2.020 0.00 0.00 C+0 HETATM 26 C UNK 0 3.606 -1.145 2.333 0.00 0.00 C+0 HETATM 27 O UNK 0 1.847 0.522 2.477 0.00 0.00 O+0 HETATM 28 C UNK 0 -2.420 -0.150 1.323 0.00 0.00 C+0 HETATM 29 C UNK 0 -3.179 0.942 0.893 0.00 0.00 C+0 HETATM 30 C UNK 0 -4.130 0.732 -0.045 0.00 0.00 C+0 HETATM 31 C UNK 0 -4.405 -0.491 -0.610 0.00 0.00 C+0 HETATM 32 C UNK 0 -3.653 -1.559 -0.179 0.00 0.00 C+0 HETATM 33 C UNK 0 -2.660 -1.414 0.780 0.00 0.00 C+0 HETATM 34 O UNK 0 -1.934 -2.503 1.181 0.00 0.00 O+0 HETATM 35 C UNK 0 -3.909 -2.883 -0.753 0.00 0.00 C+0 HETATM 36 O UNK 0 -3.195 -3.818 -0.325 0.00 0.00 O+0 HETATM 37 C UNK 0 -4.947 -3.072 -1.767 0.00 0.00 C+0 HETATM 38 C UNK 0 -5.176 -4.321 -2.297 0.00 0.00 C+0 HETATM 39 O UNK 0 -4.491 -5.447 -1.944 0.00 0.00 O+0 HETATM 40 C UNK 0 -6.175 -4.460 -3.262 0.00 0.00 C+0 HETATM 41 C UNK 0 -6.901 -3.391 -3.667 0.00 0.00 C+0 HETATM 42 C UNK 0 -6.696 -2.145 -3.160 0.00 0.00 C+0 HETATM 43 O UNK 0 -7.465 -1.090 -3.609 0.00 0.00 O+0 HETATM 44 C UNK 0 -5.715 -1.986 -2.207 0.00 0.00 C+0 HETATM 45 C UNK 0 -5.437 -0.682 -1.618 0.00 0.00 C+0 HETATM 46 O UNK 0 -6.123 0.319 -2.003 0.00 0.00 O+0 HETATM 47 C UNK 0 -2.838 2.210 1.530 0.00 0.00 C+0 HETATM 48 C UNK 0 -3.562 3.400 1.185 0.00 0.00 C+0 HETATM 49 O UNK 0 -4.145 4.051 2.090 0.00 0.00 O+0 HETATM 50 O UNK 0 -3.695 3.932 -0.097 0.00 0.00 O+0 HETATM 51 C UNK 0 -4.436 5.107 -0.284 0.00 0.00 C+0 HETATM 52 H UNK 0 -5.674 2.656 3.861 0.00 0.00 H+0 HETATM 53 H UNK 0 -6.220 1.006 3.627 0.00 0.00 H+0 HETATM 54 H UNK 0 -5.797 1.886 2.169 0.00 0.00 H+0 HETATM 55 H UNK 0 -4.180 0.111 3.003 0.00 0.00 H+0 HETATM 56 H UNK 0 -4.044 0.974 4.530 0.00 0.00 H+0 HETATM 57 H UNK 0 -3.736 3.221 4.346 0.00 0.00 H+0 HETATM 58 H UNK 0 -0.892 1.782 3.635 0.00 0.00 H+0 HETATM 59 H UNK 0 -1.990 0.580 4.374 0.00 0.00 H+0 HETATM 60 H UNK 0 -1.074 -0.855 2.866 0.00 0.00 H+0 HETATM 61 H UNK 0 0.557 -1.110 2.553 0.00 0.00 H+0 HETATM 62 H UNK 0 1.846 -1.732 0.599 0.00 0.00 H+0 HETATM 63 H UNK 0 0.307 -1.056 0.026 0.00 0.00 H+0 HETATM 64 H UNK 0 1.314 1.216 0.010 0.00 0.00 H+0 HETATM 65 H UNK 0 3.631 -0.818 -2.611 0.00 0.00 H+0 HETATM 66 H UNK 0 2.096 -1.769 -2.526 0.00 0.00 H+0 HETATM 67 H UNK 0 3.091 -1.657 -1.061 0.00 0.00 H+0 HETATM 68 H UNK 0 1.621 1.802 -2.651 0.00 0.00 H+0 HETATM 69 H UNK 0 2.944 1.979 -1.491 0.00 0.00 H+0 HETATM 70 H UNK 0 3.238 1.071 -3.059 0.00 0.00 H+0 HETATM 71 H UNK 0 3.469 1.704 0.457 0.00 0.00 H+0 HETATM 72 H UNK 0 4.982 1.867 -0.202 0.00 0.00 H+0 HETATM 73 H UNK 0 6.233 0.644 1.551 0.00 0.00 H+0 HETATM 74 H UNK 0 7.190 1.636 0.418 0.00 0.00 H+0 HETATM 75 H UNK 0 6.960 -1.430 0.293 0.00 0.00 H+0 HETATM 76 H UNK 0 8.689 -1.113 1.480 0.00 0.00 H+0 HETATM 77 H UNK 0 8.418 -1.096 -1.727 0.00 0.00 H+0 HETATM 78 H UNK 0 9.316 0.929 -1.318 0.00 0.00 H+0 HETATM 79 H UNK 0 5.868 -1.257 -1.698 0.00 0.00 H+0 HETATM 80 H UNK 0 5.573 -0.513 -4.003 0.00 0.00 H+0 HETATM 81 H UNK 0 7.170 -1.392 -3.754 0.00 0.00 H+0 HETATM 82 H UNK 0 7.078 0.440 -3.957 0.00 0.00 H+0 HETATM 83 H UNK 0 3.808 0.949 2.546 0.00 0.00 H+0 HETATM 84 H UNK 0 4.428 -1.141 3.108 0.00 0.00 H+0 HETATM 85 H UNK 0 2.824 -1.809 2.784 0.00 0.00 H+0 HETATM 86 H UNK 0 4.086 -1.610 1.438 0.00 0.00 H+0 HETATM 87 H UNK 0 -4.707 1.588 -0.366 0.00 0.00 H+0 HETATM 88 H UNK 0 -1.204 -2.573 1.840 0.00 0.00 H+0 HETATM 89 H UNK 0 -3.769 -5.653 -1.323 0.00 0.00 H+0 HETATM 90 H UNK 0 -6.367 -5.444 -3.690 0.00 0.00 H+0 HETATM 91 H UNK 0 -7.680 -3.523 -4.426 0.00 0.00 H+0 HETATM 92 H UNK 0 -8.175 -1.217 -4.302 0.00 0.00 H+0 HETATM 93 H UNK 0 -1.736 2.412 1.374 0.00 0.00 H+0 HETATM 94 H UNK 0 -5.431 5.098 0.179 0.00 0.00 H+0 HETATM 95 H UNK 0 -4.583 5.313 -1.365 0.00 0.00 H+0 HETATM 96 H UNK 0 -3.879 5.952 0.213 0.00 0.00 H+0 CONECT 1 2 52 53 54 CONECT 2 1 3 55 56 CONECT 3 2 4 5 47 CONECT 4 3 57 CONECT 5 3 6 58 59 CONECT 6 5 7 28 60 CONECT 7 6 8 CONECT 8 7 9 27 61 CONECT 9 8 10 62 63 CONECT 10 9 11 14 64 CONECT 11 10 12 13 CONECT 12 11 65 66 67 CONECT 13 11 68 69 70 CONECT 14 10 15 25 71 CONECT 15 14 16 CONECT 16 15 17 24 72 CONECT 17 16 18 73 74 CONECT 18 17 19 20 75 CONECT 19 18 76 CONECT 20 18 21 22 77 CONECT 21 20 78 CONECT 22 20 23 24 79 CONECT 23 22 80 81 82 CONECT 24 22 16 CONECT 25 14 26 27 83 CONECT 26 25 84 85 86 CONECT 27 25 8 CONECT 28 6 29 33 CONECT 29 28 30 47 CONECT 30 29 31 87 CONECT 31 30 32 45 CONECT 32 31 33 35 CONECT 33 32 34 28 CONECT 34 33 88 CONECT 35 32 36 37 CONECT 36 35 CONECT 37 35 38 44 CONECT 38 37 39 40 CONECT 39 38 89 CONECT 40 38 41 90 CONECT 41 40 42 91 CONECT 42 41 43 44 CONECT 43 42 92 CONECT 44 42 45 37 CONECT 45 44 46 31 CONECT 46 45 CONECT 47 29 48 3 93 CONECT 48 47 49 50 CONECT 49 48 CONECT 50 48 51 CONECT 51 50 94 95 96 CONECT 52 1 CONECT 53 1 CONECT 54 1 CONECT 55 2 CONECT 56 2 CONECT 57 4 CONECT 58 5 CONECT 59 5 CONECT 60 6 CONECT 61 8 CONECT 62 9 CONECT 63 9 CONECT 64 10 CONECT 65 12 CONECT 66 12 CONECT 67 12 CONECT 68 13 CONECT 69 13 CONECT 70 13 CONECT 71 14 CONECT 72 16 CONECT 73 17 CONECT 74 17 CONECT 75 18 CONECT 76 19 CONECT 77 20 CONECT 78 21 CONECT 79 22 CONECT 80 23 CONECT 81 23 CONECT 82 23 CONECT 83 25 CONECT 84 26 CONECT 85 26 CONECT 86 26 CONECT 87 30 CONECT 88 34 CONECT 89 39 CONECT 90 40 CONECT 91 41 CONECT 92 43 CONECT 93 47 CONECT 94 51 CONECT 95 51 CONECT 96 51 MASTER 0 0 0 0 0 0 0 0 96 0 202 0 END SMILES for NP0023274 (Musettamycin)[H]OC1=C2C(=O)C3=C([H])C4=C(C(O[H])=C3C(=O)C2=C(O[H])C([H])=C1[H])[C@@]([H])(O[C@]1([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[C@]2([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])C2([H])[H])[C@@]([H])(N(C([H])([H])[H])C([H])([H])[H])C1([H])[H])C([H])([H])[C@](O[H])(C([H])([H])C([H])([H])[H])[C@]4([H])C(=O)OC([H])([H])[H] INCHI for NP0023274 (Musettamycin)InChI=1S/C36H45NO14/c1-7-36(46)13-22(50-23-11-18(37(4)5)34(15(3)49-23)51-24-12-21(40)30(41)14(2)48-24)25-16(29(36)35(45)47-6)10-17-26(32(25)43)33(44)28-20(39)9-8-19(38)27(28)31(17)42/h8-10,14-15,18,21-24,29-30,34,38-41,43,46H,7,11-13H2,1-6H3/t14-,15-,18-,21-,22-,23-,24-,29-,30+,34+,36+/m0/s1 3D Structure for NP0023274 (Musettamycin) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms |
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Chemical Formula | C36H45NO14 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 715.7490 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 715.28401 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | methyl (1R,2R,4S)-4-{[(2R,4S,5S,6S)-5-{[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | methyl (1R,2R,4S)-4-{[(2R,4S,5S,6S)-5-{[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@H]3C[C@H](O)[C@H](O)[C@H](C)O3)[C@H](C)O2)N(C)C)C2=C(C=C3C(=O)C4=C(O)C=CC(O)=C4C(=O)C3=C2O)[C@H]1C(=O)OC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C36H45NO14/c1-7-36(46)13-22(50-23-11-18(37(4)5)34(15(3)49-23)51-24-12-21(40)30(41)14(2)48-24)25-16(29(36)35(45)47-6)10-17-26(32(25)43)33(44)28-20(39)9-8-19(38)27(28)31(17)42/h8-10,14-15,18,21-24,29-30,34,38-41,43,46H,7,11-13H2,1-6H3/t14-,15-,18-,21-,22-,23-,24-,29-,30+,34+,36+/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | PXKJRTZJMGPOGS-HSCQWZBZSA-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 | NPA021121 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 23327146 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 44559595 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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