Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA003301
PROPERTIES
NPAID | NPA003301 |
---|---|
CLUSTER ID | 59 |
NODE ID | 56 |
NAME | Herbimycin A |
FORMULA | C30H42N2O9 |
MOLECULAR WEIGHT (Da) | 574.6710 |
ACCURATE MASS (Da) | 574.2890 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Streptomyces |
ORIGIN SPECIES | hygroscopicus |
InChIKey | MCAHMSDENAOJFZ-BVXDHVRPSA-N |
InChI | InChI=1S/C30H42N2O9/c1-16-10-9-11-23(37-5)28(41-30(31)36)18(3)12-17(2)27(40-8)24(38-6)13-19(4)26(39-7)21-14-20(33)15-22(25(21)34)32-29(16)35/h9-12,14-15,17,19,23-24,26-28H,13H2,1-8H3,(H2,31,36)(H,32,35)/b11-9-,16-10+,18-12+/t17-,19-,23-,24-,26+,27+,28-/m0/s1 |
SMILES | C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C=C([C@@H]1OC)C2=O)/C)OC)OC(=O)N)\C)C)OC)OC |
ORIGINAL ISOLATION REFERENCE
CITATION | Ōmura, S; Nakagawa, A; Sadakane, N Structure of herbimycin A new ansamycin antibiotic Tetrahedron Letters 1979 20 (44) 4323-4326. | ||
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DOI | 10.1016/s0040-4039(01)86578-3 | PMID | - |