Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA014911
PROPERTIES
NPAID | NPA014911 |
---|---|
CLUSTER ID | 1239 |
NODE ID | 1050 |
NAME | Ansamitocin-P-2 |
FORMULA | C31H41ClN2O9 |
MOLECULAR WEIGHT (Da) | 621.1270 |
ACCURATE MASS (Da) | 620.2501 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Nocardia |
ORIGIN SPECIES | sp. C-15003 |
InChIKey | DGBBXVWXOHSLTG-UMDRASRXSA-N |
InChI | InChI=1S/C31H41ClN2O9/c1-8-26(36)42-24-15-25(35)34(5)20-13-19(14-21(39-6)27(20)32)12-17(2)10-9-11-23(40-7)31(38)16-22(41-29(37)33-31)18(3)28-30(24,4)43-28/h9-11,13-14,18,22-24,28,38H,8,12,15-16H2,1-7H3,(H,33,37)/b11-9+,17-10+/t18-,22+,23-,24+,28+,30+,31+/m1/s1 |
SMILES | CCC(=O)O[C@H]1CC(=O)N(C2=C(C(=CC(=C2)C/C(=C/C=C/[C@H]([C@]3(C[C@@H]([C@H]([C@H]4[C@]1(O4)C)C)OC(=O)N3)O)OC)/C)OC)Cl)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Higashide, Eiji; Asai, Mitsuko; Ootsu, Koichiro; Tanida, Seiich; Kozai, Yoshio; Hasegawa, Toru; Kishi, Toyokazu; Sugino, Yukio; Yoneda, Masahiko Ansamitocin, a group of novel maytansinoid antibiotics with antitumour properties from Nocardia Nature 1977 270 (5639) 721. | ||
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DOI | 10.1038/270721a0 | PMID | 593392 |