Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA028323
PROPERTIES
NPAID | NPA028323 |
---|---|
CLUSTER ID | 1238 |
NODE ID | 1051 |
NAME | Ansamitocin P-3 |
FORMULA | C32H43ClN2O9 |
MOLECULAR WEIGHT (Da) | 635.1540 |
ACCURATE MASS (Da) | 634.2657 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Actinomyces |
ORIGIN SPECIES | sp. |
InChIKey | OPQNCARIZFLNLF-JBHFWYGFSA-N |
InChI | InChI=1S/C32H43ClN2O9/c1-17(2)29(37)43-25-15-26(36)35(6)21-13-20(14-22(40-7)27(21)33)12-18(3)10-9-11-24(41-8)32(39)16-23(42-30(38)34-32)19(4)28-31(25,5)44-28/h9-11,13-14,17,19,23-25,28,39H,12,15-16H2,1-8H3,(H,34,38)/b11-9+,18-10+/t19-,23+,24-,25+,28+,31+,32+/m1/s1 |
SMILES | COC1=CC2=CC(=C1Cl)N(C)C(=O)C[C@H](OC(=O)C(C)C)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 |
ORIGINAL ISOLATION REFERENCE
CITATION | Suwanborirux K; Chang CJ; Spjut RW; Cassady JM Ansamitocin P-3, a maytansinoid, from Claopodium crispifolium and Anomodon attenuatus or associated actinomycetes. Experientia 1990 46 (1) 117-120. | ||
---|---|---|---|
DOI | 10.1007/bf01955435 | PMID | 2298279 |