Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA002678
PROPERTIES
NPAID | NPA002678 |
---|---|
CLUSTER ID | 977 |
NODE ID | 694 |
NAME | Decatromicin B |
FORMULA | C45H56Cl2N2O10 |
MOLECULAR WEIGHT (Da) | 855.8530 |
ACCURATE MASS (Da) | 854.3312 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Actinomadura |
ORIGIN SPECIES | sp. MK73-NF4 |
InChIKey | UYAXASMGHNZATD-IQSMHXHVSA-N |
InChI | InChI=1S/C45H56Cl2N2O10/c1-7-25-20-45-39(52)34(42(56)59-45)38(51)44(8-2)26(12-10-9-11-22(3)19-43(45,6)21-28(25)41(54)55)14-15-27-29(44)16-13-23(4)37(27)58-33-18-31(50)35(24(5)57-33)49-40(53)36-30(46)17-32(47)48-36/h9-10,14-15,17,19,21,23-27,29,31,33,35,37,48,50-51H,7-8,11-13,16,18,20H2,1-6H3,(H,49,53)(H,54,55)/b10-9+,22-19+,38-34?/t23-,24+,25-,26+,27-,29+,31+,33-,35+,37-,43-,44+,45+/m0/s1 |
SMILES | CC[C@H]1C[C@@]23C(=O)C(=C([C@]4([C@@H]5CC[C@@H]([C@@H]([C@H]5C=C[C@H]4C/C=C/C/C(=C/[C@]2(C=C1C(=O)O)C)/C)O[C@H]6C[C@H]([C@@H]([C@H](O6)C)NC(=O)C7=C(C=C(N7)Cl)Cl)O)C)CC)O)C(=O)O3 |
ORIGINAL ISOLATION REFERENCE
CITATION | Momose, Isao; Hirosawa, Sehei; Nakamura, Hikaru; Naganawa, Hiroshi; Iinuma, Hironobu; Ikeda, Daishiro; Takeuchi, Tomio Decatromicins A and B, new antibiotics produced by Actinomadura sp. MK73-NF4. II. Structure determination Journal of Antibiotics 1999 52 (9) 787-796. | ||
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DOI | 10.7164/antibiotics.52.787 | PMID | 10726926 |