Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA014382
PROPERTIES
NPAID | NPA014382 |
---|---|
CLUSTER ID | 169 |
NODE ID | 160 |
NAME | Manumycin A |
FORMULA | C31H38N2O7 |
MOLECULAR WEIGHT (Da) | 550.6520 |
ACCURATE MASS (Da) | 550.2679 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Streptomyces |
ORIGIN SPECIES | sp. |
InChIKey | TWWQHCKLTXDWBD-YZRBWWMNSA-N |
InChI | InChI=1S/C31H38N2O7/c1-5-6-11-19(2)16-20(3)17-21(4)30(38)32-22-18-31(39,29-28(40-29)27(22)37)15-10-8-7-9-12-25(36)33-26-23(34)13-14-24(26)35/h7-10,12,15-19,28-29,34,39H,5-6,11,13-14H2,1-4H3,(H,32,38)(H,33,36)/b8-7+,12-9+,15-10+,20-16+,21-17+/t19-,28+,29+,31+/m0/s1 |
SMILES | CCCC[C@H](C)/C=C(\C)/C=C(\C)/C(=O)NC1=C[C@@]([C@H]2[C@@H](C1=O)O2)(/C=C/C=C/C=C/C(=O)NC3=C(CCC3=O)O)O |
ORIGINAL ISOLATION REFERENCE
CITATION | BUZZETTI, F; GAEUMANN, E; HUETTER, R; KELLER-SCHIERLEIN, W; NEIPP, L; PRELOG, V; ZAEHNER, H METABOLITES OF MICROORGANISMS. 41. MANUMYCIN Pharmaceutica Acta Helvetiae 1963 38 871-874. | ||
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DOI | 10.5281/zenodo.3541312 | PMID | 14208615 |