Showing NP-Card for Alchivemycin B (NP0011895)
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Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2021-01-05 21:26:40 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 17:10:16 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0011895 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Alchivemycin B | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Alchivemycin B is found in Streptomyces sp. It was first documented in 2013 (PMID: 23819828). | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0011895 (Alchivemycin B)Mrv1652307012121573D 98102 0 0 0 0 999 V2000 -7.5716 -3.5741 -0.2372 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3227 -2.8230 -0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5683 -2.9826 1.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9909 -3.9601 2.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3101 -2.2359 1.2425 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5139 -1.5308 2.4201 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9837 -1.3048 0.1021 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7595 -2.0452 -1.0702 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7774 -0.4195 0.4018 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1899 0.6292 1.3279 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5053 0.4646 2.5566 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0908 2.0714 0.9724 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2794 2.6369 1.5623 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1379 2.4859 -0.4387 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0384 3.7424 -0.5668 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8759 2.7446 -1.1738 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1161 3.9930 -0.8235 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0537 4.3529 -1.8097 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3147 4.6671 -1.2146 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2401 3.4812 -1.5414 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4773 2.3909 -1.1363 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5821 2.6209 -0.3895 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6731 3.3870 0.8907 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6371 1.5879 -0.5922 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8512 1.8674 0.1912 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7094 0.9292 0.4236 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5295 -0.4221 -0.0611 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6086 -1.3609 1.1200 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6500 -2.7696 0.6333 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9136 -3.7791 1.7026 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2582 -2.9856 -0.0096 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2672 -2.0716 -1.2122 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4021 -2.5556 -2.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3237 -0.6380 -0.9478 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1965 0.1196 -0.3522 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8907 0.0708 -0.9641 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9464 0.4258 -2.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9868 -0.2847 -0.0998 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 -1.6894 -0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 -2.8666 0.1359 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8940 -1.7105 -0.4035 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6124 -1.1138 0.6877 N 0 0 1 0 0 0 0 0 0 0 0 0 -0.7599 -0.4314 1.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1566 0.4620 0.8752 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0326 1.6154 1.3058 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4551 -2.9862 0.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7447 -3.7882 -1.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5243 -4.5589 0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0389 -2.1163 -0.7994 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4131 -3.8678 2.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0366 -4.9958 1.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0580 -3.6987 2.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4678 -2.9474 1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3828 -2.0720 3.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8279 -0.6601 -0.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8098 -3.0092 -0.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6223 0.0872 -0.6408 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2830 0.4907 1.6546 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0327 0.7466 3.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3332 2.6515 1.5867 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0155 2.0335 1.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7709 1.7090 -0.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6452 4.5714 0.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1981 3.9812 -1.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0408 3.4910 -0.1605 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 1.8937 -1.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2091 2.9239 -2.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 3.9611 0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8067 4.8957 -0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3252 5.2050 -2.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0291 3.4753 -2.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2446 4.8768 -0.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7905 5.5234 -1.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7633 3.4662 -2.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3398 4.2954 0.7879 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1940 2.7909 1.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7110 3.6743 1.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9205 1.6210 -1.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9876 2.8934 0.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6383 1.0996 1.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4210 -0.6787 -0.7063 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8135 -1.1695 1.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5692 -1.1429 1.6234 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3748 -2.8318 -0.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0362 -4.0724 2.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3595 -4.6848 1.2111 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7348 -3.3661 2.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1229 -4.0221 -0.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5846 -2.6443 0.8033 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3095 -2.2925 -1.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3334 -2.4483 -2.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7814 -2.0333 -3.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 -3.6343 -2.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5907 -0.1315 -1.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2754 0.0155 0.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6822 0.1518 -2.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9345 -1.1599 -1.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2209 -2.7036 -0.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 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 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 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 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 41 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 42 9 1 0 0 0 0 22 20 1 0 0 0 0 35 24 1 0 0 0 0 44 38 1 0 0 0 0 34 27 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 2 49 1 0 0 0 0 4 50 1 0 0 0 0 4 51 1 0 0 0 0 4 52 1 0 0 0 0 5 53 1 1 0 0 0 6 54 1 0 0 0 0 7 55 1 6 0 0 0 8 56 1 0 0 0 0 9 57 1 6 0 0 0 10 58 1 1 0 0 0 11 59 1 0 0 0 0 12 60 1 1 0 0 0 13 61 1 0 0 0 0 14 62 1 6 0 0 0 15 63 1 0 0 0 0 15 64 1 0 0 0 0 15 65 1 0 0 0 0 16 66 1 0 0 0 0 16 67 1 0 0 0 0 17 68 1 0 0 0 0 17 69 1 0 0 0 0 18 70 1 0 0 0 0 18 71 1 0 0 0 0 19 72 1 0 0 0 0 19 73 1 0 0 0 0 20 74 1 6 0 0 0 23 75 1 0 0 0 0 23 76 1 0 0 0 0 23 77 1 0 0 0 0 24 78 1 6 0 0 0 25 79 1 0 0 0 0 26 80 1 0 0 0 0 27 81 1 6 0 0 0 28 82 1 0 0 0 0 28 83 1 0 0 0 0 29 84 1 6 0 0 0 30 85 1 0 0 0 0 30 86 1 0 0 0 0 30 87 1 0 0 0 0 31 88 1 0 0 0 0 31 89 1 0 0 0 0 32 90 1 6 0 0 0 33 91 1 0 0 0 0 33 92 1 0 0 0 0 33 93 1 0 0 0 0 34 94 1 6 0 0 0 35 95 1 1 0 0 0 37 96 1 0 0 0 0 41 97 1 0 0 0 0 41 98 1 0 0 0 0 M END 3D MOL for NP0011895 (Alchivemycin B)RDKit 3D 98102 0 0 0 0 0 0 0 0999 V2000 -7.5716 -3.5741 -0.2372 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3227 -2.8230 -0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5683 -2.9826 1.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9909 -3.9601 2.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3101 -2.2359 1.2425 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5139 -1.5308 2.4201 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9837 -1.3048 0.1021 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7595 -2.0452 -1.0702 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7774 -0.4195 0.4018 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1899 0.6292 1.3279 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5053 0.4646 2.5566 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0908 2.0714 0.9724 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2794 2.6369 1.5623 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1379 2.4859 -0.4387 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0384 3.7424 -0.5668 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8759 2.7446 -1.1738 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1161 3.9930 -0.8235 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0537 4.3529 -1.8097 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3147 4.6671 -1.2146 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2401 3.4812 -1.5414 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4773 2.3909 -1.1363 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5821 2.6209 -0.3895 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6731 3.3870 0.8907 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6371 1.5879 -0.5922 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8512 1.8674 0.1912 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7094 0.9292 0.4236 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5295 -0.4221 -0.0611 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6086 -1.3609 1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -2.7696 0.6333 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9136 -3.7791 1.7026 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2582 -2.9856 -0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2672 -2.0716 -1.2122 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4021 -2.5556 -2.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3237 -0.6380 -0.9478 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1965 0.1196 -0.3522 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8907 0.0708 -0.9641 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9464 0.4258 -2.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9868 -0.2847 -0.0998 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 -1.6894 -0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 -2.8666 0.1359 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8940 -1.7105 -0.4035 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6124 -1.1138 0.6877 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7599 -0.4314 1.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1566 0.4620 0.8752 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0326 1.6154 1.3058 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4551 -2.9862 0.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7447 -3.7882 -1.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5243 -4.5589 0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0389 -2.1163 -0.7994 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4131 -3.8678 2.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0366 -4.9958 1.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0580 -3.6987 2.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4678 -2.9474 1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3828 -2.0720 3.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8279 -0.6601 -0.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8098 -3.0092 -0.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6223 0.0872 -0.6408 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2830 0.4907 1.6546 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0327 0.7466 3.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3332 2.6515 1.5867 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0155 2.0335 1.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7709 1.7090 -0.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6452 4.5714 0.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1981 3.9812 -1.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0408 3.4910 -0.1605 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 1.8937 -1.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2091 2.9239 -2.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 3.9611 0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8067 4.8957 -0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3252 5.2050 -2.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0291 3.4753 -2.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2446 4.8768 -0.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7905 5.5234 -1.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7633 3.4662 -2.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3398 4.2954 0.7879 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1940 2.7909 1.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7110 3.6743 1.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9205 1.6210 -1.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9876 2.8934 0.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6383 1.0996 1.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4210 -0.6787 -0.7063 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8135 -1.1695 1.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5692 -1.1429 1.6234 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3748 -2.8318 -0.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0362 -4.0724 2.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3595 -4.6848 1.2111 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7348 -3.3661 2.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1229 -4.0221 -0.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5846 -2.6443 0.8033 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3095 -2.2925 -1.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3334 -2.4483 -2.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7814 -2.0333 -3.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 -3.6343 -2.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5907 -0.1315 -1.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2754 0.0155 0.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6822 0.1518 -2.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9345 -1.1599 -1.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2209 -2.7036 -0.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 3 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 1 22 24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 36 38 2 0 38 39 1 0 39 40 2 0 39 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 42 9 1 0 22 20 1 0 35 24 1 0 44 38 1 0 34 27 1 0 1 46 1 0 1 47 1 0 1 48 1 0 2 49 1 0 4 50 1 0 4 51 1 0 4 52 1 0 5 53 1 1 6 54 1 0 7 55 1 6 8 56 1 0 9 57 1 6 10 58 1 1 11 59 1 0 12 60 1 1 13 61 1 0 14 62 1 6 15 63 1 0 15 64 1 0 15 65 1 0 16 66 1 0 16 67 1 0 17 68 1 0 17 69 1 0 18 70 1 0 18 71 1 0 19 72 1 0 19 73 1 0 20 74 1 6 23 75 1 0 23 76 1 0 23 77 1 0 24 78 1 6 25 79 1 0 26 80 1 0 27 81 1 6 28 82 1 0 28 83 1 0 29 84 1 6 30 85 1 0 30 86 1 0 30 87 1 0 31 88 1 0 31 89 1 0 32 90 1 6 33 91 1 0 33 92 1 0 33 93 1 0 34 94 1 6 35 95 1 1 37 96 1 0 41 97 1 0 41 98 1 0 M END 3D SDF for NP0011895 (Alchivemycin B)Mrv1652307012121573D 98102 0 0 0 0 999 V2000 -7.5716 -3.5741 -0.2372 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3227 -2.8230 -0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5683 -2.9826 1.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9909 -3.9601 2.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3101 -2.2359 1.2425 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5139 -1.5308 2.4201 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9837 -1.3048 0.1021 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7595 -2.0452 -1.0702 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7774 -0.4195 0.4018 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1899 0.6292 1.3279 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5053 0.4646 2.5566 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0908 2.0714 0.9724 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2794 2.6369 1.5623 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1379 2.4859 -0.4387 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0384 3.7424 -0.5668 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8759 2.7446 -1.1738 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1161 3.9930 -0.8235 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0537 4.3529 -1.8097 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3147 4.6671 -1.2146 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2401 3.4812 -1.5414 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4773 2.3909 -1.1363 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5821 2.6209 -0.3895 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6731 3.3870 0.8907 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6371 1.5879 -0.5922 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8512 1.8674 0.1912 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7094 0.9292 0.4236 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5295 -0.4221 -0.0611 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6086 -1.3609 1.1200 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6500 -2.7696 0.6333 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9136 -3.7791 1.7026 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2582 -2.9856 -0.0096 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2672 -2.0716 -1.2122 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4021 -2.5556 -2.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3237 -0.6380 -0.9478 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1965 0.1196 -0.3522 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8907 0.0708 -0.9641 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9464 0.4258 -2.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9868 -0.2847 -0.0998 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 -1.6894 -0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 -2.8666 0.1359 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8940 -1.7105 -0.4035 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6124 -1.1138 0.6877 N 0 0 1 0 0 0 0 0 0 0 0 0 -0.7599 -0.4314 1.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1566 0.4620 0.8752 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0326 1.6154 1.3058 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4551 -2.9862 0.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7447 -3.7882 -1.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5243 -4.5589 0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0389 -2.1163 -0.7994 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4131 -3.8678 2.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0366 -4.9958 1.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0580 -3.6987 2.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4678 -2.9474 1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3828 -2.0720 3.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8279 -0.6601 -0.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8098 -3.0092 -0.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6223 0.0872 -0.6408 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2830 0.4907 1.6546 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0327 0.7466 3.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3332 2.6515 1.5867 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0155 2.0335 1.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7709 1.7090 -0.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6452 4.5714 0.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1981 3.9812 -1.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0408 3.4910 -0.1605 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 1.8937 -1.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2091 2.9239 -2.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 3.9611 0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8067 4.8957 -0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3252 5.2050 -2.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0291 3.4753 -2.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2446 4.8768 -0.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7905 5.5234 -1.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7633 3.4662 -2.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3398 4.2954 0.7879 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1940 2.7909 1.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7110 3.6743 1.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9205 1.6210 -1.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9876 2.8934 0.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6383 1.0996 1.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4210 -0.6787 -0.7063 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8135 -1.1695 1.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5692 -1.1429 1.6234 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3748 -2.8318 -0.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0362 -4.0724 2.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3595 -4.6848 1.2111 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7348 -3.3661 2.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1229 -4.0221 -0.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5846 -2.6443 0.8033 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3095 -2.2925 -1.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3334 -2.4483 -2.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7814 -2.0333 -3.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 -3.6343 -2.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5907 -0.1315 -1.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2754 0.0155 0.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6822 0.1518 -2.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9345 -1.1599 -1.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2209 -2.7036 -0.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 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 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 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 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 41 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 42 9 1 0 0 0 0 22 20 1 0 0 0 0 35 24 1 0 0 0 0 44 38 1 0 0 0 0 34 27 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 2 49 1 0 0 0 0 4 50 1 0 0 0 0 4 51 1 0 0 0 0 4 52 1 0 0 0 0 5 53 1 1 0 0 0 6 54 1 0 0 0 0 7 55 1 6 0 0 0 8 56 1 0 0 0 0 9 57 1 6 0 0 0 10 58 1 1 0 0 0 11 59 1 0 0 0 0 12 60 1 1 0 0 0 13 61 1 0 0 0 0 14 62 1 6 0 0 0 15 63 1 0 0 0 0 15 64 1 0 0 0 0 15 65 1 0 0 0 0 16 66 1 0 0 0 0 16 67 1 0 0 0 0 17 68 1 0 0 0 0 17 69 1 0 0 0 0 18 70 1 0 0 0 0 18 71 1 0 0 0 0 19 72 1 0 0 0 0 19 73 1 0 0 0 0 20 74 1 6 0 0 0 23 75 1 0 0 0 0 23 76 1 0 0 0 0 23 77 1 0 0 0 0 24 78 1 6 0 0 0 25 79 1 0 0 0 0 26 80 1 0 0 0 0 27 81 1 6 0 0 0 28 82 1 0 0 0 0 28 83 1 0 0 0 0 29 84 1 6 0 0 0 30 85 1 0 0 0 0 30 86 1 0 0 0 0 30 87 1 0 0 0 0 31 88 1 0 0 0 0 31 89 1 0 0 0 0 32 90 1 6 0 0 0 33 91 1 0 0 0 0 33 92 1 0 0 0 0 33 93 1 0 0 0 0 34 94 1 6 0 0 0 35 95 1 1 0 0 0 37 96 1 0 0 0 0 41 97 1 0 0 0 0 41 98 1 0 0 0 0 M END > <DATABASE_ID> NP0011895 > <DATABASE_NAME> NP-MRD > <SMILES> [H]O\C1=C2\C(=O)O[N@](C([H])([H])C2=O)[C@@]([H])([C@@]([H])(O[H])[C@@]([H])(O[H])C(=C(/[H])C([H])([H])[H])\C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]2([H])O[C@@]2(C([H])([H])[H])[C@@]2([H])C([H])=C([H])[C@@]3([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]3([H])[C@]12[H] > <INCHI_IDENTIFIER> InChI=1S/C35H53NO9/c1-7-18(3)29(38)32(41)28-33(42)30(39)19(4)10-8-9-11-24-35(6,44-24)22-13-12-21-15-17(2)14-20(5)25(21)26(22)31(40)27-23(37)16-36(28)45-34(27)43/h7,12-13,17,19-22,24-26,28-30,32-33,38-42H,8-11,14-16H2,1-6H3/b18-7+,31-27?/t17-,19-,20+,21-,22-,24-,25+,26+,28-,29-,30+,32+,33+,35-/m0/s1 > <INCHI_KEY> ODWSFZQNKWSGRM-FMAFSPPKSA-N > <FORMULA> C35H53NO9 > <MOLECULAR_WEIGHT> 631.807 > <EXACT_MASS> 631.372032291 > <JCHEM_ACCEPTOR_COUNT> 9 > <JCHEM_ATOM_COUNT> 98 > <JCHEM_AVERAGE_POLARIZABILITY> 69.3743594356071 > <JCHEM_BIOAVAILABILITY> 1 > <JCHEM_DONOR_COUNT> 5 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (1E,3S,4R,5R,7S,9R,12S,13S,15S,20S,21R,22R,23R,24R)-23-[(1R,2S,3E)-1,2-dihydroxy-3-methylpent-3-en-1-yl]-2,21,22-trihydroxy-5,7,13,20-tetramethyl-14,25-dioxa-24-azapentacyclo[22.2.2.0^{3,12}.0^{4,9}.0^{13,15}]octacosa-1,10-diene-26,27-dione > <ALOGPS_LOGP> 3.02 > <JCHEM_LOGP> 3.431115340333333 > <ALOGPS_LOGS> -4.08 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 5 > <JCHEM_PHYSIOLOGICAL_CHARGE> -1 > <JCHEM_PKA> 11.75606879537004 > <JCHEM_PKA_STRONGEST_ACIDIC> 3.657714188502924 > <JCHEM_PKA_STRONGEST_BASIC> -2.354506733872728 > <JCHEM_POLAR_SURFACE_AREA> 160.29 > <JCHEM_REFRACTIVITY> 170.44260000000006 > <JCHEM_ROTATABLE_BOND_COUNT> 3 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 5.23e-02 g/l > <JCHEM_TRADITIONAL_IUPAC> (1E,3S,4R,5R,7S,9R,12S,13S,15S,20S,21R,22R,23R,24R)-23-[(1R,2S,3E)-1,2-dihydroxy-3-methylpent-3-en-1-yl]-2,21,22-trihydroxy-5,7,13,20-tetramethyl-14,25-dioxa-24-azapentacyclo[22.2.2.0^{3,12}.0^{4,9}.0^{13,15}]octacosa-1,10-diene-26,27-dione > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0011895 (Alchivemycin B)RDKit 3D 98102 0 0 0 0 0 0 0 0999 V2000 -7.5716 -3.5741 -0.2372 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3227 -2.8230 -0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5683 -2.9826 1.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9909 -3.9601 2.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3101 -2.2359 1.2425 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5139 -1.5308 2.4201 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9837 -1.3048 0.1021 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7595 -2.0452 -1.0702 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7774 -0.4195 0.4018 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1899 0.6292 1.3279 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5053 0.4646 2.5566 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0908 2.0714 0.9724 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2794 2.6369 1.5623 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1379 2.4859 -0.4387 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0384 3.7424 -0.5668 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8759 2.7446 -1.1738 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1161 3.9930 -0.8235 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0537 4.3529 -1.8097 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3147 4.6671 -1.2146 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2401 3.4812 -1.5414 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4773 2.3909 -1.1363 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5821 2.6209 -0.3895 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6731 3.3870 0.8907 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6371 1.5879 -0.5922 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8512 1.8674 0.1912 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7094 0.9292 0.4236 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5295 -0.4221 -0.0611 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6086 -1.3609 1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -2.7696 0.6333 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9136 -3.7791 1.7026 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2582 -2.9856 -0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2672 -2.0716 -1.2122 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4021 -2.5556 -2.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3237 -0.6380 -0.9478 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1965 0.1196 -0.3522 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8907 0.0708 -0.9641 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9464 0.4258 -2.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9868 -0.2847 -0.0998 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 -1.6894 -0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 -2.8666 0.1359 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8940 -1.7105 -0.4035 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6124 -1.1138 0.6877 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7599 -0.4314 1.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1566 0.4620 0.8752 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0326 1.6154 1.3058 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4551 -2.9862 0.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7447 -3.7882 -1.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5243 -4.5589 0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0389 -2.1163 -0.7994 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4131 -3.8678 2.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0366 -4.9958 1.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0580 -3.6987 2.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4678 -2.9474 1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3828 -2.0720 3.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8279 -0.6601 -0.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8098 -3.0092 -0.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6223 0.0872 -0.6408 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2830 0.4907 1.6546 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0327 0.7466 3.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3332 2.6515 1.5867 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0155 2.0335 1.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7709 1.7090 -0.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6452 4.5714 0.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1981 3.9812 -1.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0408 3.4910 -0.1605 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 1.8937 -1.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2091 2.9239 -2.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 3.9611 0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8067 4.8957 -0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3252 5.2050 -2.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0291 3.4753 -2.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2446 4.8768 -0.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7905 5.5234 -1.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7633 3.4662 -2.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3398 4.2954 0.7879 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1940 2.7909 1.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7110 3.6743 1.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9205 1.6210 -1.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9876 2.8934 0.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6383 1.0996 1.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4210 -0.6787 -0.7063 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8135 -1.1695 1.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5692 -1.1429 1.6234 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3748 -2.8318 -0.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0362 -4.0724 2.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3595 -4.6848 1.2111 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7348 -3.3661 2.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1229 -4.0221 -0.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5846 -2.6443 0.8033 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3095 -2.2925 -1.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3334 -2.4483 -2.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7814 -2.0333 -3.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 -3.6343 -2.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5907 -0.1315 -1.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2754 0.0155 0.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6822 0.1518 -2.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9345 -1.1599 -1.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2209 -2.7036 -0.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 3 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 1 22 24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 36 38 2 0 38 39 1 0 39 40 2 0 39 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 42 9 1 0 22 20 1 0 35 24 1 0 44 38 1 0 34 27 1 0 1 46 1 0 1 47 1 0 1 48 1 0 2 49 1 0 4 50 1 0 4 51 1 0 4 52 1 0 5 53 1 1 6 54 1 0 7 55 1 6 8 56 1 0 9 57 1 6 10 58 1 1 11 59 1 0 12 60 1 1 13 61 1 0 14 62 1 6 15 63 1 0 15 64 1 0 15 65 1 0 16 66 1 0 16 67 1 0 17 68 1 0 17 69 1 0 18 70 1 0 18 71 1 0 19 72 1 0 19 73 1 0 20 74 1 6 23 75 1 0 23 76 1 0 23 77 1 0 24 78 1 6 25 79 1 0 26 80 1 0 27 81 1 6 28 82 1 0 28 83 1 0 29 84 1 6 30 85 1 0 30 86 1 0 30 87 1 0 31 88 1 0 31 89 1 0 32 90 1 6 33 91 1 0 33 92 1 0 33 93 1 0 34 94 1 6 35 95 1 1 37 96 1 0 41 97 1 0 41 98 1 0 M END PDB for NP0011895 (Alchivemycin B)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 -7.572 -3.574 -0.237 0.00 0.00 C+0 HETATM 2 C UNK 0 -6.323 -2.823 -0.037 0.00 0.00 C+0 HETATM 3 C UNK 0 -5.568 -2.983 1.016 0.00 0.00 C+0 HETATM 4 C UNK 0 -5.991 -3.960 2.048 0.00 0.00 C+0 HETATM 5 C UNK 0 -4.310 -2.236 1.242 0.00 0.00 C+0 HETATM 6 O UNK 0 -4.514 -1.531 2.420 0.00 0.00 O+0 HETATM 7 C UNK 0 -3.984 -1.305 0.102 0.00 0.00 C+0 HETATM 8 O UNK 0 -3.760 -2.045 -1.070 0.00 0.00 O+0 HETATM 9 C UNK 0 -2.777 -0.420 0.402 0.00 0.00 C+0 HETATM 10 C UNK 0 -3.190 0.629 1.328 0.00 0.00 C+0 HETATM 11 O UNK 0 -2.505 0.465 2.557 0.00 0.00 O+0 HETATM 12 C UNK 0 -3.091 2.071 0.972 0.00 0.00 C+0 HETATM 13 O UNK 0 -4.279 2.637 1.562 0.00 0.00 O+0 HETATM 14 C UNK 0 -3.138 2.486 -0.439 0.00 0.00 C+0 HETATM 15 C UNK 0 -4.038 3.742 -0.567 0.00 0.00 C+0 HETATM 16 C UNK 0 -1.876 2.745 -1.174 0.00 0.00 C+0 HETATM 17 C UNK 0 -1.116 3.993 -0.824 0.00 0.00 C+0 HETATM 18 C UNK 0 -0.054 4.353 -1.810 0.00 0.00 C+0 HETATM 19 C UNK 0 1.315 4.667 -1.215 0.00 0.00 C+0 HETATM 20 C UNK 0 2.240 3.481 -1.541 0.00 0.00 C+0 HETATM 21 O UNK 0 1.477 2.391 -1.136 0.00 0.00 O+0 HETATM 22 C UNK 0 2.582 2.621 -0.390 0.00 0.00 C+0 HETATM 23 C UNK 0 2.673 3.387 0.891 0.00 0.00 C+0 HETATM 24 C UNK 0 3.637 1.588 -0.592 0.00 0.00 C+0 HETATM 25 C UNK 0 4.851 1.867 0.191 0.00 0.00 C+0 HETATM 26 C UNK 0 5.709 0.929 0.424 0.00 0.00 C+0 HETATM 27 C UNK 0 5.529 -0.422 -0.061 0.00 0.00 C+0 HETATM 28 C UNK 0 5.609 -1.361 1.120 0.00 0.00 C+0 HETATM 29 C UNK 0 5.650 -2.770 0.633 0.00 0.00 C+0 HETATM 30 C UNK 0 5.914 -3.779 1.703 0.00 0.00 C+0 HETATM 31 C UNK 0 4.258 -2.986 -0.010 0.00 0.00 C+0 HETATM 32 C UNK 0 4.267 -2.072 -1.212 0.00 0.00 C+0 HETATM 33 C UNK 0 3.402 -2.556 -2.346 0.00 0.00 C+0 HETATM 34 C UNK 0 4.324 -0.638 -0.948 0.00 0.00 C+0 HETATM 35 C UNK 0 3.196 0.120 -0.352 0.00 0.00 C+0 HETATM 36 C UNK 0 1.891 0.071 -0.964 0.00 0.00 C+0 HETATM 37 O UNK 0 1.946 0.426 -2.356 0.00 0.00 O+0 HETATM 38 C UNK 0 0.987 -0.285 -0.100 0.00 0.00 C+0 HETATM 39 C UNK 0 0.609 -1.689 -0.062 0.00 0.00 C+0 HETATM 40 O UNK 0 0.997 -2.867 0.136 0.00 0.00 O+0 HETATM 41 C UNK 0 -0.894 -1.710 -0.404 0.00 0.00 C+0 HETATM 42 N UNK 0 -1.612 -1.114 0.688 0.00 0.00 N+0 HETATM 43 O UNK 0 -0.760 -0.431 1.504 0.00 0.00 O+0 HETATM 44 C UNK 0 0.157 0.462 0.875 0.00 0.00 C+0 HETATM 45 O UNK 0 0.033 1.615 1.306 0.00 0.00 O+0 HETATM 46 H UNK 0 -8.455 -2.986 0.090 0.00 0.00 H+0 HETATM 47 H UNK 0 -7.745 -3.788 -1.332 0.00 0.00 H+0 HETATM 48 H UNK 0 -7.524 -4.559 0.267 0.00 0.00 H+0 HETATM 49 H UNK 0 -6.039 -2.116 -0.799 0.00 0.00 H+0 HETATM 50 H UNK 0 -5.413 -3.868 2.985 0.00 0.00 H+0 HETATM 51 H UNK 0 -6.037 -4.996 1.660 0.00 0.00 H+0 HETATM 52 H UNK 0 -7.058 -3.699 2.305 0.00 0.00 H+0 HETATM 53 H UNK 0 -3.468 -2.947 1.440 0.00 0.00 H+0 HETATM 54 H UNK 0 -4.383 -2.072 3.232 0.00 0.00 H+0 HETATM 55 H UNK 0 -4.828 -0.660 -0.082 0.00 0.00 H+0 HETATM 56 H UNK 0 -3.810 -3.009 -0.923 0.00 0.00 H+0 HETATM 57 H UNK 0 -2.622 0.087 -0.641 0.00 0.00 H+0 HETATM 58 H UNK 0 -4.283 0.491 1.655 0.00 0.00 H+0 HETATM 59 H UNK 0 -3.033 0.747 3.319 0.00 0.00 H+0 HETATM 60 H UNK 0 -2.333 2.652 1.587 0.00 0.00 H+0 HETATM 61 H UNK 0 -5.016 2.034 1.301 0.00 0.00 H+0 HETATM 62 H UNK 0 -3.771 1.709 -0.973 0.00 0.00 H+0 HETATM 63 H UNK 0 -3.645 4.571 0.020 0.00 0.00 H+0 HETATM 64 H UNK 0 -4.198 3.981 -1.640 0.00 0.00 H+0 HETATM 65 H UNK 0 -5.041 3.491 -0.161 0.00 0.00 H+0 HETATM 66 H UNK 0 -1.187 1.894 -1.138 0.00 0.00 H+0 HETATM 67 H UNK 0 -2.209 2.924 -2.258 0.00 0.00 H+0 HETATM 68 H UNK 0 -0.717 3.961 0.206 0.00 0.00 H+0 HETATM 69 H UNK 0 -1.807 4.896 -0.807 0.00 0.00 H+0 HETATM 70 H UNK 0 -0.325 5.205 -2.471 0.00 0.00 H+0 HETATM 71 H UNK 0 0.029 3.475 -2.519 0.00 0.00 H+0 HETATM 72 H UNK 0 1.245 4.877 -0.159 0.00 0.00 H+0 HETATM 73 H UNK 0 1.791 5.523 -1.783 0.00 0.00 H+0 HETATM 74 H UNK 0 2.763 3.466 -2.495 0.00 0.00 H+0 HETATM 75 H UNK 0 3.340 4.295 0.788 0.00 0.00 H+0 HETATM 76 H UNK 0 3.194 2.791 1.699 0.00 0.00 H+0 HETATM 77 H UNK 0 1.711 3.674 1.331 0.00 0.00 H+0 HETATM 78 H UNK 0 3.921 1.621 -1.673 0.00 0.00 H+0 HETATM 79 H UNK 0 4.988 2.893 0.565 0.00 0.00 H+0 HETATM 80 H UNK 0 6.638 1.100 1.009 0.00 0.00 H+0 HETATM 81 H UNK 0 6.421 -0.679 -0.706 0.00 0.00 H+0 HETATM 82 H UNK 0 4.814 -1.169 1.866 0.00 0.00 H+0 HETATM 83 H UNK 0 6.569 -1.143 1.623 0.00 0.00 H+0 HETATM 84 H UNK 0 6.375 -2.832 -0.199 0.00 0.00 H+0 HETATM 85 H UNK 0 5.036 -4.072 2.277 0.00 0.00 H+0 HETATM 86 H UNK 0 6.359 -4.685 1.211 0.00 0.00 H+0 HETATM 87 H UNK 0 6.735 -3.366 2.347 0.00 0.00 H+0 HETATM 88 H UNK 0 4.123 -4.022 -0.322 0.00 0.00 H+0 HETATM 89 H UNK 0 3.585 -2.644 0.803 0.00 0.00 H+0 HETATM 90 H UNK 0 5.309 -2.293 -1.658 0.00 0.00 H+0 HETATM 91 H UNK 0 2.333 -2.448 -2.218 0.00 0.00 H+0 HETATM 92 H UNK 0 3.781 -2.033 -3.275 0.00 0.00 H+0 HETATM 93 H UNK 0 3.592 -3.634 -2.560 0.00 0.00 H+0 HETATM 94 H UNK 0 4.591 -0.132 -1.914 0.00 0.00 H+0 HETATM 95 H UNK 0 3.275 0.016 0.744 0.00 0.00 H+0 HETATM 96 H UNK 0 2.682 0.152 -2.932 0.00 0.00 H+0 HETATM 97 H UNK 0 -0.935 -1.160 -1.359 0.00 0.00 H+0 HETATM 98 H UNK 0 -1.221 -2.704 -0.606 0.00 0.00 H+0 CONECT 1 2 46 47 48 CONECT 2 1 3 49 CONECT 3 2 4 5 CONECT 4 3 50 51 52 CONECT 5 3 6 7 53 CONECT 6 5 54 CONECT 7 5 8 9 55 CONECT 8 7 56 CONECT 9 7 10 42 57 CONECT 10 9 11 12 58 CONECT 11 10 59 CONECT 12 10 13 14 60 CONECT 13 12 61 CONECT 14 12 15 16 62 CONECT 15 14 63 64 65 CONECT 16 14 17 66 67 CONECT 17 16 18 68 69 CONECT 18 17 19 70 71 CONECT 19 18 20 72 73 CONECT 20 19 21 22 74 CONECT 21 20 22 CONECT 22 21 23 24 20 CONECT 23 22 75 76 77 CONECT 24 22 25 35 78 CONECT 25 24 26 79 CONECT 26 25 27 80 CONECT 27 26 28 34 81 CONECT 28 27 29 82 83 CONECT 29 28 30 31 84 CONECT 30 29 85 86 87 CONECT 31 29 32 88 89 CONECT 32 31 33 34 90 CONECT 33 32 91 92 93 CONECT 34 32 35 27 94 CONECT 35 34 36 24 95 CONECT 36 35 37 38 CONECT 37 36 96 CONECT 38 36 39 44 CONECT 39 38 40 41 CONECT 40 39 CONECT 41 39 42 97 98 CONECT 42 41 43 9 CONECT 43 42 44 CONECT 44 43 45 38 CONECT 45 44 CONECT 46 1 CONECT 47 1 CONECT 48 1 CONECT 49 2 CONECT 50 4 CONECT 51 4 CONECT 52 4 CONECT 53 5 CONECT 54 6 CONECT 55 7 CONECT 56 8 CONECT 57 9 CONECT 58 10 CONECT 59 11 CONECT 60 12 CONECT 61 13 CONECT 62 14 CONECT 63 15 CONECT 64 15 CONECT 65 15 CONECT 66 16 CONECT 67 16 CONECT 68 17 CONECT 69 17 CONECT 70 18 CONECT 71 18 CONECT 72 19 CONECT 73 19 CONECT 74 20 CONECT 75 23 CONECT 76 23 CONECT 77 23 CONECT 78 24 CONECT 79 25 CONECT 80 26 CONECT 81 27 CONECT 82 28 CONECT 83 28 CONECT 84 29 CONECT 85 30 CONECT 86 30 CONECT 87 30 CONECT 88 31 CONECT 89 31 CONECT 90 32 CONECT 91 33 CONECT 92 33 CONECT 93 33 CONECT 94 34 CONECT 95 35 CONECT 96 37 CONECT 97 41 CONECT 98 41 MASTER 0 0 0 0 0 0 0 0 98 0 204 0 END SMILES for NP0011895 (Alchivemycin B)[H]O\C1=C2\C(=O)O[N@](C([H])([H])C2=O)[C@@]([H])([C@@]([H])(O[H])[C@@]([H])(O[H])C(=C(/[H])C([H])([H])[H])\C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]2([H])O[C@@]2(C([H])([H])[H])[C@@]2([H])C([H])=C([H])[C@@]3([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]3([H])[C@]12[H] INCHI for NP0011895 (Alchivemycin B)InChI=1S/C35H53NO9/c1-7-18(3)29(38)32(41)28-33(42)30(39)19(4)10-8-9-11-24-35(6,44-24)22-13-12-21-15-17(2)14-20(5)25(21)26(22)31(40)27-23(37)16-36(28)45-34(27)43/h7,12-13,17,19-22,24-26,28-30,32-33,38-42H,8-11,14-16H2,1-6H3/b18-7+,31-27?/t17-,19-,20+,21-,22-,24-,25+,26+,28-,29-,30+,32+,33+,35-/m0/s1 3D Structure for NP0011895 (Alchivemycin B) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C35H53NO9 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 631.8070 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 631.37203 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (1E,3S,4R,5R,7S,9R,12S,13S,15S,20S,21R,22R,23R,24R)-23-[(1R,2S,3E)-1,2-dihydroxy-3-methylpent-3-en-1-yl]-2,21,22-trihydroxy-5,7,13,20-tetramethyl-14,25-dioxa-24-azapentacyclo[22.2.2.0^{3,12}.0^{4,9}.0^{13,15}]octacosa-1,10-diene-26,27-dione | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (1E,3S,4R,5R,7S,9R,12S,13S,15S,20S,21R,22R,23R,24R)-23-[(1R,2S,3E)-1,2-dihydroxy-3-methylpent-3-en-1-yl]-2,21,22-trihydroxy-5,7,13,20-tetramethyl-14,25-dioxa-24-azapentacyclo[22.2.2.0^{3,12}.0^{4,9}.0^{13,15}]octacosa-1,10-diene-26,27-dione | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CC=C(C)[C@H](O)[C@H](O)[C@H]1[C@@H](O)[C@H](O)[C@@H](C)CCCC[C@@H]2O[C@@]2(C)[C@H]2C=C[C@H]3C[C@@H](C)C[C@@H](C)[C@H]3[C@@H]2C(O)=C2C(=O)CN1OC2=O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C35H53NO9/c1-7-18(3)29(38)32(41)28-33(42)30(39)19(4)10-8-9-11-24-35(6,44-24)22-13-12-21-15-17(2)14-20(5)25(21)26(22)31(40)27-23(37)16-36(28)45-34(27)43/h7,12-13,17,19-22,24-26,28-30,32-33,38-42H,8-11,14-16H2,1-6H3/b18-7?,31-27+/t17-,19-,20+,21-,22-,24-,25+,26+,28-,29-,30+,32+,33+,35-/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | ODWSFZQNKWSGRM-FMAFSPPKSA-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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
External Links | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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