input word = C00045909

Metabolite InformationStructural formula
Name Epothilone C8
(-)-Epothilone C8
Formula C25H37NO5S
Mw 463.23924403
CAS RN 252917-46-7
C_ID C00045909 ,
InChIKey SZLNOQJINZWMEH-IGEGQTFYNA-N
InChICode InChI=1S/C25H37NO5S/c1-16-10-8-6-7-9-11-20(13-12-19-15-32-18(3)26-19)31-22(28)14-21(27)25(4,5)24(30)17(2)23(16)29/h7,9,12-13,15-17,20-21,23,27,29H,6,8,10-11,14H2,1-5H3/b9-7-,13-12+/t16-,17+,20-,21-,23-/m0/s1
SMILES Cc1nc(/C=C/[C@@H]2C/C=CCCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O2)cs1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro L-Lys
Organism
Kingdom Family Species Reference
--Sorangium cellulosum Ref.
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