Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA014441
PROPERTIES
NPAID | NPA014441 |
---|---|
CLUSTER ID | 93 |
NODE ID | 88 |
NAME | Epothilone D 3-α-D-arabinofuranoside |
FORMULA | C31H47NO9S |
MOLECULAR WEIGHT (Da) | 609.7820 |
ACCURATE MASS (Da) | 609.2972 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Sorangium |
ORIGIN SPECIES | cellulosum |
InChIKey | RJLGVVVYCIMPMK-DAZWEYQJSA-N |
InChI | InChI=1S/C31H47NO9S/c1-17-11-9-7-8-10-12-22(18(2)13-21-16-42-20(4)32-21)39-25(34)14-24(31(5,6)29(38)19(3)26(17)35)41-30-28(37)27(36)23(15-33)40-30/h8,10,13,16-17,19,22-24,26-28,30,33,35-37H,7,9,11-12,14-15H2,1-6H3/b10-8-,18-13+/t17-,19+,22-,23+,24-,26-,27+,28?,30+/m0/s1 |
SMILES | C[C@H]1CCC/C=C\C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O[C@@H]2C([C@@H]([C@H](O2)CO)O)O)/C(=C/C3=CSC(=N3)C)/C |
ORIGINAL ISOLATION REFERENCE
CITATION | Wang, Jidong; Zhang, Hui; Ying, Linping; Wang, Chuanxi; Jiang, Nan; Zhou, Yue; Wang, Haibin; Bai, Hua Five new epothilone metabolites from Sorangium cellulosum strain So0157-2 Journal of Antibiotics 2009 62 (9) 483-487. | ||
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DOI | 10.1038/ja.2009.55 | PMID | 19575038 |