Showing NP-Card for Bombyxamycin B (NP0019294)
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Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2021-01-06 04:51:02 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 17:30:35 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0019294 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Bombyxamycin B | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Bombyxamycin B is found in Streptomyces sp. It was first documented in 2019 (PMID: 30801193). | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0019294 (Bombyxamycin B)Mrv1652306242120153D 64 65 0 0 0 0 999 V2000 -3.6612 1.3078 -1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6245 0.2322 -0.7273 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1041 -0.5645 0.4344 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0221 -1.5047 0.2521 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0777 -2.5895 -0.6672 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6314 -3.8456 -0.5498 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1781 -4.5295 0.6166 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9511 -4.6633 1.0892 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7457 -4.8506 0.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2934 -3.9921 -0.6057 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2966 -2.5690 -0.3805 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1445 -1.9986 0.7242 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4635 -2.3147 1.2312 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5838 -2.7263 2.4486 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7071 -2.2077 0.4845 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0472 -1.1198 -0.2129 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0632 -0.1865 -0.5135 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5508 1.0959 -0.2215 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5825 1.4513 1.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8190 2.0646 -1.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0524 3.3693 -0.9863 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1048 4.1244 0.2235 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0776 4.5904 0.9386 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2489 4.9189 0.5123 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3570 4.2015 0.4686 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5990 2.9083 1.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3785 2.8218 2.1039 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1304 1.6251 0.6968 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3508 0.9386 -0.5586 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0040 0.9605 -0.6708 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8931 1.4233 0.2976 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2647 -0.5379 -0.8271 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2149 -0.8055 -2.1952 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7783 1.3522 -2.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3321 2.3098 -0.7813 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6211 1.1067 -0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5490 -0.4450 -1.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6691 -0.3256 1.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8785 -1.3181 0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6427 -2.3986 -1.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7081 -4.4178 -1.5209 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9369 -5.0915 1.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8131 -4.6639 2.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 -5.7371 0.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0771 -4.3741 -1.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7022 -1.8934 -1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4974 -1.2696 1.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4186 -3.0238 0.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7876 0.4969 1.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6767 1.8613 1.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4975 2.0734 1.4494 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1038 1.7445 -1.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2396 3.8459 -1.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1407 4.4061 0.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3753 4.7737 2.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4441 5.9878 0.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2582 4.6330 -0.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5487 1.0683 1.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5059 0.3246 -0.8575 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3565 1.7827 -1.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2073 1.5121 -1.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3625 0.6871 0.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1940 -0.8499 -0.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3433 -1.1860 -2.4710 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 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 1 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 18 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 29 2 1 0 0 0 0 32 16 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 37 1 6 0 0 0 3 38 1 0 0 0 0 4 39 1 0 0 0 0 5 40 1 0 0 0 0 6 41 1 0 0 0 0 7 42 1 0 0 0 0 8 43 1 0 0 0 0 9 44 1 0 0 0 0 10 45 1 0 0 0 0 11 46 1 0 0 0 0 12 47 1 0 0 0 0 15 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 21 53 1 0 0 0 0 22 54 1 0 0 0 0 23 55 1 0 0 0 0 24 56 1 0 0 0 0 25 57 1 0 0 0 0 28 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 30 61 1 6 0 0 0 31 62 1 0 0 0 0 32 63 1 1 0 0 0 33 64 1 0 0 0 0 M END 3D MOL for NP0019294 (Bombyxamycin B)RDKit 3D 64 65 0 0 0 0 0 0 0 0999 V2000 -3.6612 1.3078 -1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6245 0.2322 -0.7273 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1041 -0.5645 0.4344 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0221 -1.5047 0.2521 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0777 -2.5895 -0.6672 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6314 -3.8456 -0.5498 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1781 -4.5295 0.6166 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9511 -4.6633 1.0892 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7457 -4.8506 0.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2934 -3.9921 -0.6057 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2966 -2.5690 -0.3805 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1445 -1.9986 0.7242 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4635 -2.3147 1.2312 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5838 -2.7263 2.4486 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7071 -2.2077 0.4845 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0472 -1.1198 -0.2129 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0632 -0.1865 -0.5135 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5508 1.0959 -0.2215 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5825 1.4513 1.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8190 2.0646 -1.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0524 3.3693 -0.9863 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1048 4.1244 0.2235 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0776 4.5904 0.9386 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2489 4.9189 0.5123 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3570 4.2015 0.4686 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5990 2.9083 1.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3785 2.8218 2.1039 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1304 1.6251 0.6968 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3508 0.9386 -0.5586 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0040 0.9605 -0.6708 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8931 1.4233 0.2976 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2647 -0.5379 -0.8271 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2149 -0.8055 -2.1952 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7783 1.3522 -2.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3321 2.3098 -0.7813 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6211 1.1067 -0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5490 -0.4450 -1.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6691 -0.3256 1.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8785 -1.3181 0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6427 -2.3986 -1.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7081 -4.4178 -1.5209 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9369 -5.0915 1.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8131 -4.6639 2.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 -5.7371 0.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0771 -4.3741 -1.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7022 -1.8934 -1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4974 -1.2696 1.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4186 -3.0238 0.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7876 0.4969 1.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6767 1.8613 1.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4975 2.0734 1.4494 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1038 1.7445 -1.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2396 3.8459 -1.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1407 4.4061 0.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3753 4.7737 2.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4441 5.9878 0.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2582 4.6330 -0.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5487 1.0683 1.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5059 0.3246 -0.8575 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3565 1.7827 -1.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2073 1.5121 -1.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3625 0.6871 0.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1940 -0.8499 -0.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3433 -1.1860 -2.4710 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 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 1 18 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 18 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 29 2 1 0 32 16 1 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 6 3 38 1 0 4 39 1 0 5 40 1 0 6 41 1 0 7 42 1 0 8 43 1 0 9 44 1 0 10 45 1 0 11 46 1 0 12 47 1 0 15 48 1 0 19 49 1 0 19 50 1 0 19 51 1 0 20 52 1 0 21 53 1 0 22 54 1 0 23 55 1 0 24 56 1 0 25 57 1 0 28 58 1 0 29 59 1 0 29 60 1 0 30 61 1 6 31 62 1 0 32 63 1 1 33 64 1 0 M END 3D SDF for NP0019294 (Bombyxamycin B)Mrv1652306242120153D 64 65 0 0 0 0 999 V2000 -3.6612 1.3078 -1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6245 0.2322 -0.7273 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1041 -0.5645 0.4344 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0221 -1.5047 0.2521 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0777 -2.5895 -0.6672 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6314 -3.8456 -0.5498 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1781 -4.5295 0.6166 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9511 -4.6633 1.0892 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7457 -4.8506 0.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2934 -3.9921 -0.6057 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2966 -2.5690 -0.3805 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1445 -1.9986 0.7242 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4635 -2.3147 1.2312 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5838 -2.7263 2.4486 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7071 -2.2077 0.4845 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0472 -1.1198 -0.2129 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0632 -0.1865 -0.5135 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5508 1.0959 -0.2215 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5825 1.4513 1.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8190 2.0646 -1.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0524 3.3693 -0.9863 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1048 4.1244 0.2235 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0776 4.5904 0.9386 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2489 4.9189 0.5123 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3570 4.2015 0.4686 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5990 2.9083 1.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3785 2.8218 2.1039 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1304 1.6251 0.6968 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3508 0.9386 -0.5586 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0040 0.9605 -0.6708 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8931 1.4233 0.2976 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2647 -0.5379 -0.8271 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2149 -0.8055 -2.1952 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7783 1.3522 -2.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3321 2.3098 -0.7813 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6211 1.1067 -0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5490 -0.4450 -1.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6691 -0.3256 1.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8785 -1.3181 0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6427 -2.3986 -1.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7081 -4.4178 -1.5209 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9369 -5.0915 1.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8131 -4.6639 2.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 -5.7371 0.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0771 -4.3741 -1.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7022 -1.8934 -1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4974 -1.2696 1.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4186 -3.0238 0.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7876 0.4969 1.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6767 1.8613 1.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4975 2.0734 1.4494 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1038 1.7445 -1.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2396 3.8459 -1.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1407 4.4061 0.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3753 4.7737 2.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4441 5.9878 0.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2582 4.6330 -0.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5487 1.0683 1.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5059 0.3246 -0.8575 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3565 1.7827 -1.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2073 1.5121 -1.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3625 0.6871 0.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1940 -0.8499 -0.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3433 -1.1860 -2.4710 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 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 1 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 18 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 29 2 1 0 0 0 0 32 16 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 37 1 6 0 0 0 3 38 1 0 0 0 0 4 39 1 0 0 0 0 5 40 1 0 0 0 0 6 41 1 0 0 0 0 7 42 1 0 0 0 0 8 43 1 0 0 0 0 9 44 1 0 0 0 0 10 45 1 0 0 0 0 11 46 1 0 0 0 0 12 47 1 0 0 0 0 15 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 21 53 1 0 0 0 0 22 54 1 0 0 0 0 23 55 1 0 0 0 0 24 56 1 0 0 0 0 25 57 1 0 0 0 0 28 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 30 61 1 6 0 0 0 31 62 1 0 0 0 0 32 63 1 1 0 0 0 33 64 1 0 0 0 0 M END > <DATABASE_ID> NP0019294 > <DATABASE_NAME> NP-MRD > <SMILES> [H]O[C@]1([H])\C2=C([H])\C(=O)\C([H])=C(\[H])/C(/[H])=C(/[H])\C(\[H])=C(\[H])/C(/[H])=C(/[H])\C(\[H])=C([H])/[C@@]([H])(C([H])([H])[H])C([H])([H])N([H])C(=O)\C([H])=C(\[H])/C(/[H])=C(/[H])\C(\[H])=C([H])/[C@](O2)(C([H])([H])[H])[C@@]1([H])O[H] > <INCHI_IDENTIFIER> InChI=1S/C27H31NO5/c1-21-15-11-7-5-3-4-6-8-12-16-22(29)19-23-25(31)26(32)27(2,33-23)18-14-10-9-13-17-24(30)28-20-21/h3-19,21,25-26,31-32H,20H2,1-2H3,(H,28,30)/b4-3-,7-5-,8-6-,10-9-,15-11-,16-12-,17-13-,18-14-,23-19-/t21-,25-,26+,27-/m1/s1 > <INCHI_KEY> WMJODBDPGQNYNL-KTCFEHIOSA-N > <FORMULA> C27H31NO5 > <MOLECULAR_WEIGHT> 449.547 > <EXACT_MASS> 449.220223102 > <JCHEM_ACCEPTOR_COUNT> 5 > <JCHEM_ATOM_COUNT> 64 > <JCHEM_AVERAGE_POLARIZABILITY> 47.93746093043925 > <JCHEM_BIOAVAILABILITY> 1 > <JCHEM_DONOR_COUNT> 3 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (1R,2Z,4Z,6Z,11R,12Z,14Z,16Z,18Z,20Z,23Z,25S,26S)-25,26-dihydroxy-1,11-dimethyl-27-oxa-9-azabicyclo[22.2.1]heptacosa-2,4,6,12,14,16,18,20,23-nonaene-8,22-dione > <ALOGPS_LOGP> 4.40 > <JCHEM_LOGP> 2.7804517029999998 > <ALOGPS_LOGS> -4.86 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 2 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA> 13.935895031391677 > <JCHEM_PKA_STRONGEST_ACIDIC> 12.525841343783664 > <JCHEM_PKA_STRONGEST_BASIC> -0.14003473367834396 > <JCHEM_POLAR_SURFACE_AREA> 95.86000000000001 > <JCHEM_REFRACTIVITY> 141.0763 > <JCHEM_ROTATABLE_BOND_COUNT> 0 > <JCHEM_RULE_OF_FIVE> 1 > <ALOGPS_SOLUBILITY> 6.25e-03 g/l > <JCHEM_TRADITIONAL_IUPAC> (1R,2Z,4Z,6Z,11R,12Z,14Z,16Z,18Z,20Z,23Z,25S,26S)-25,26-dihydroxy-1,11-dimethyl-27-oxa-9-azabicyclo[22.2.1]heptacosa-2,4,6,12,14,16,18,20,23-nonaene-8,22-dione > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0019294 (Bombyxamycin B)RDKit 3D 64 65 0 0 0 0 0 0 0 0999 V2000 -3.6612 1.3078 -1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6245 0.2322 -0.7273 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1041 -0.5645 0.4344 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0221 -1.5047 0.2521 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0777 -2.5895 -0.6672 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6314 -3.8456 -0.5498 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1781 -4.5295 0.6166 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9511 -4.6633 1.0892 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7457 -4.8506 0.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2934 -3.9921 -0.6057 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2966 -2.5690 -0.3805 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1445 -1.9986 0.7242 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4635 -2.3147 1.2312 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5838 -2.7263 2.4486 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7071 -2.2077 0.4845 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0472 -1.1198 -0.2129 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0632 -0.1865 -0.5135 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5508 1.0959 -0.2215 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5825 1.4513 1.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8190 2.0646 -1.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0524 3.3693 -0.9863 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1048 4.1244 0.2235 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0776 4.5904 0.9386 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2489 4.9189 0.5123 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3570 4.2015 0.4686 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5990 2.9083 1.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3785 2.8218 2.1039 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1304 1.6251 0.6968 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3508 0.9386 -0.5586 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0040 0.9605 -0.6708 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8931 1.4233 0.2976 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2647 -0.5379 -0.8271 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2149 -0.8055 -2.1952 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7783 1.3522 -2.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3321 2.3098 -0.7813 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6211 1.1067 -0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5490 -0.4450 -1.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6691 -0.3256 1.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8785 -1.3181 0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6427 -2.3986 -1.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7081 -4.4178 -1.5209 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9369 -5.0915 1.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8131 -4.6639 2.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 -5.7371 0.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0771 -4.3741 -1.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7022 -1.8934 -1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4974 -1.2696 1.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4186 -3.0238 0.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7876 0.4969 1.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6767 1.8613 1.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4975 2.0734 1.4494 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1038 1.7445 -1.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2396 3.8459 -1.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1407 4.4061 0.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3753 4.7737 2.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4441 5.9878 0.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2582 4.6330 -0.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5487 1.0683 1.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5059 0.3246 -0.8575 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3565 1.7827 -1.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2073 1.5121 -1.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3625 0.6871 0.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1940 -0.8499 -0.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3433 -1.1860 -2.4710 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 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 1 18 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 18 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 29 2 1 0 32 16 1 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 6 3 38 1 0 4 39 1 0 5 40 1 0 6 41 1 0 7 42 1 0 8 43 1 0 9 44 1 0 10 45 1 0 11 46 1 0 12 47 1 0 15 48 1 0 19 49 1 0 19 50 1 0 19 51 1 0 20 52 1 0 21 53 1 0 22 54 1 0 23 55 1 0 24 56 1 0 25 57 1 0 28 58 1 0 29 59 1 0 29 60 1 0 30 61 1 6 31 62 1 0 32 63 1 1 33 64 1 0 M END PDB for NP0019294 (Bombyxamycin B)HEADER PROTEIN 24-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 24-JUN-21 0 HETATM 1 C UNK 0 -3.661 1.308 -1.126 0.00 0.00 C+0 HETATM 2 C UNK 0 -2.624 0.232 -0.727 0.00 0.00 C+0 HETATM 3 C UNK 0 -3.104 -0.565 0.434 0.00 0.00 C+0 HETATM 4 C UNK 0 -4.022 -1.505 0.252 0.00 0.00 C+0 HETATM 5 C UNK 0 -4.078 -2.590 -0.667 0.00 0.00 C+0 HETATM 6 C UNK 0 -3.631 -3.846 -0.550 0.00 0.00 C+0 HETATM 7 C UNK 0 -3.178 -4.529 0.617 0.00 0.00 C+0 HETATM 8 C UNK 0 -1.951 -4.663 1.089 0.00 0.00 C+0 HETATM 9 C UNK 0 -0.746 -4.851 0.296 0.00 0.00 C+0 HETATM 10 C UNK 0 -0.293 -3.992 -0.606 0.00 0.00 C+0 HETATM 11 C UNK 0 -0.297 -2.569 -0.381 0.00 0.00 C+0 HETATM 12 C UNK 0 0.145 -1.999 0.724 0.00 0.00 C+0 HETATM 13 C UNK 0 1.464 -2.315 1.231 0.00 0.00 C+0 HETATM 14 O UNK 0 1.584 -2.726 2.449 0.00 0.00 O+0 HETATM 15 C UNK 0 2.707 -2.208 0.485 0.00 0.00 C+0 HETATM 16 C UNK 0 3.047 -1.120 -0.213 0.00 0.00 C+0 HETATM 17 O UNK 0 2.063 -0.187 -0.514 0.00 0.00 O+0 HETATM 18 C UNK 0 2.551 1.096 -0.222 0.00 0.00 C+0 HETATM 19 C UNK 0 2.583 1.451 1.214 0.00 0.00 C+0 HETATM 20 C UNK 0 1.819 2.065 -1.101 0.00 0.00 C+0 HETATM 21 C UNK 0 2.052 3.369 -0.986 0.00 0.00 C+0 HETATM 22 C UNK 0 2.105 4.124 0.224 0.00 0.00 C+0 HETATM 23 C UNK 0 1.078 4.590 0.939 0.00 0.00 C+0 HETATM 24 C UNK 0 -0.249 4.919 0.512 0.00 0.00 C+0 HETATM 25 C UNK 0 -1.357 4.202 0.469 0.00 0.00 C+0 HETATM 26 C UNK 0 -1.599 2.908 1.056 0.00 0.00 C+0 HETATM 27 O UNK 0 -2.378 2.822 2.104 0.00 0.00 O+0 HETATM 28 N UNK 0 -1.130 1.625 0.697 0.00 0.00 N+0 HETATM 29 C UNK 0 -1.351 0.939 -0.559 0.00 0.00 C+0 HETATM 30 C UNK 0 4.004 0.961 -0.671 0.00 0.00 C+0 HETATM 31 O UNK 0 4.893 1.423 0.298 0.00 0.00 O+0 HETATM 32 C UNK 0 4.265 -0.538 -0.827 0.00 0.00 C+0 HETATM 33 O UNK 0 4.215 -0.806 -2.195 0.00 0.00 O+0 HETATM 34 H UNK 0 -3.778 1.352 -2.213 0.00 0.00 H+0 HETATM 35 H UNK 0 -3.332 2.310 -0.781 0.00 0.00 H+0 HETATM 36 H UNK 0 -4.621 1.107 -0.588 0.00 0.00 H+0 HETATM 37 H UNK 0 -2.549 -0.445 -1.610 0.00 0.00 H+0 HETATM 38 H UNK 0 -2.669 -0.326 1.407 0.00 0.00 H+0 HETATM 39 H UNK 0 -4.878 -1.318 0.978 0.00 0.00 H+0 HETATM 40 H UNK 0 -4.643 -2.399 -1.632 0.00 0.00 H+0 HETATM 41 H UNK 0 -3.708 -4.418 -1.521 0.00 0.00 H+0 HETATM 42 H UNK 0 -3.937 -5.091 1.268 0.00 0.00 H+0 HETATM 43 H UNK 0 -1.813 -4.664 2.195 0.00 0.00 H+0 HETATM 44 H UNK 0 -0.105 -5.737 0.385 0.00 0.00 H+0 HETATM 45 H UNK 0 0.077 -4.374 -1.537 0.00 0.00 H+0 HETATM 46 H UNK 0 -0.702 -1.893 -1.161 0.00 0.00 H+0 HETATM 47 H UNK 0 -0.497 -1.270 1.279 0.00 0.00 H+0 HETATM 48 H UNK 0 3.419 -3.024 0.470 0.00 0.00 H+0 HETATM 49 H UNK 0 2.788 0.497 1.787 0.00 0.00 H+0 HETATM 50 H UNK 0 1.677 1.861 1.650 0.00 0.00 H+0 HETATM 51 H UNK 0 3.498 2.073 1.449 0.00 0.00 H+0 HETATM 52 H UNK 0 1.104 1.744 -1.846 0.00 0.00 H+0 HETATM 53 H UNK 0 2.240 3.846 -1.989 0.00 0.00 H+0 HETATM 54 H UNK 0 3.141 4.406 0.590 0.00 0.00 H+0 HETATM 55 H UNK 0 1.375 4.774 2.012 0.00 0.00 H+0 HETATM 56 H UNK 0 -0.444 5.988 0.171 0.00 0.00 H+0 HETATM 57 H UNK 0 -2.258 4.633 -0.068 0.00 0.00 H+0 HETATM 58 H UNK 0 -0.549 1.068 1.400 0.00 0.00 H+0 HETATM 59 H UNK 0 -0.506 0.325 -0.858 0.00 0.00 H+0 HETATM 60 H UNK 0 -1.357 1.783 -1.329 0.00 0.00 H+0 HETATM 61 H UNK 0 4.207 1.512 -1.597 0.00 0.00 H+0 HETATM 62 H UNK 0 5.362 0.687 0.768 0.00 0.00 H+0 HETATM 63 H UNK 0 5.194 -0.850 -0.356 0.00 0.00 H+0 HETATM 64 H UNK 0 3.343 -1.186 -2.471 0.00 0.00 H+0 CONECT 1 2 34 35 36 CONECT 2 1 3 29 37 CONECT 3 2 4 38 CONECT 4 3 5 39 CONECT 5 4 6 40 CONECT 6 5 7 41 CONECT 7 6 8 42 CONECT 8 7 9 43 CONECT 9 8 10 44 CONECT 10 9 11 45 CONECT 11 10 12 46 CONECT 12 11 13 47 CONECT 13 12 14 15 CONECT 14 13 CONECT 15 13 16 48 CONECT 16 15 17 32 CONECT 17 16 18 CONECT 18 17 19 20 30 CONECT 19 18 49 50 51 CONECT 20 18 21 52 CONECT 21 20 22 53 CONECT 22 21 23 54 CONECT 23 22 24 55 CONECT 24 23 25 56 CONECT 25 24 26 57 CONECT 26 25 27 28 CONECT 27 26 CONECT 28 26 29 58 CONECT 29 28 2 59 60 CONECT 30 18 31 32 61 CONECT 31 30 62 CONECT 32 30 33 16 63 CONECT 33 32 64 CONECT 34 1 CONECT 35 1 CONECT 36 1 CONECT 37 2 CONECT 38 3 CONECT 39 4 CONECT 40 5 CONECT 41 6 CONECT 42 7 CONECT 43 8 CONECT 44 9 CONECT 45 10 CONECT 46 11 CONECT 47 12 CONECT 48 15 CONECT 49 19 CONECT 50 19 CONECT 51 19 CONECT 52 20 CONECT 53 21 CONECT 54 22 CONECT 55 23 CONECT 56 24 CONECT 57 25 CONECT 58 28 CONECT 59 29 CONECT 60 29 CONECT 61 30 CONECT 62 31 CONECT 63 32 CONECT 64 33 MASTER 0 0 0 0 0 0 0 0 64 0 130 0 END SMILES for NP0019294 (Bombyxamycin B)[H]O[C@]1([H])\C2=C([H])\C(=O)\C([H])=C(\[H])/C(/[H])=C(/[H])\C(\[H])=C(\[H])/C(/[H])=C(/[H])\C(\[H])=C([H])/[C@@]([H])(C([H])([H])[H])C([H])([H])N([H])C(=O)\C([H])=C(\[H])/C(/[H])=C(/[H])\C(\[H])=C([H])/[C@](O2)(C([H])([H])[H])[C@@]1([H])O[H] INCHI for NP0019294 (Bombyxamycin B)InChI=1S/C27H31NO5/c1-21-15-11-7-5-3-4-6-8-12-16-22(29)19-23-25(31)26(32)27(2,33-23)18-14-10-9-13-17-24(30)28-20-21/h3-19,21,25-26,31-32H,20H2,1-2H3,(H,28,30)/b4-3-,7-5-,8-6-,10-9-,15-11-,16-12-,17-13-,18-14-,23-19-/t21-,25-,26+,27-/m1/s1 3D Structure for NP0019294 (Bombyxamycin B) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C27H31NO5 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 449.5470 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 449.22022 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (1R,2Z,4Z,6Z,11R,12Z,14Z,16Z,18Z,20Z,23Z,25S,26S)-25,26-dihydroxy-1,11-dimethyl-27-oxa-9-azabicyclo[22.2.1]heptacosa-2,4,6,12,14,16,18,20,23-nonaene-8,22-dione | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (1R,2Z,4Z,6Z,11R,12Z,14Z,16Z,18Z,20Z,23Z,25S,26S)-25,26-dihydroxy-1,11-dimethyl-27-oxa-9-azabicyclo[22.2.1]heptacosa-2,4,6,12,14,16,18,20,23-nonaene-8,22-dione | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | C[C@H]1CNC(=O)\C=C/C=C\C=C/[C@@]2(C)O\C(=C/C(=O)/C=C\C=C/C=C\C=C/C=C\1)[C@@H](O)[C@@H]2O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C27H31NO5/c1-21-15-11-7-5-3-4-6-8-12-16-22(29)19-23-25(31)26(32)27(2,33-23)18-14-10-9-13-17-24(30)28-20-21/h3-19,21,25-26,31-32H,20H2,1-2H3,(H,28,30)/b4-3-,7-5-,8-6-,10-9-,15-11-,16-12-,17-13-,18-14-,23-19-/t21-,25-,26+,27-/m1/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | WMJODBDPGQNYNL-KTCFEHIOSA-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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