input word = C00045907

Metabolite InformationStructural formula
Name Epothilone C6
(-)-Epothilone C6
Formula C26H37NO5S
Mw 475.23924403
CAS RN 252917-42-3
C_ID C00045907 ,
InChIKey ROFAAPRTXVOLLR-HISXVYJDNA-N
InChICode InChI=1S/C26H37NO5S/c1-16-11-9-7-8-10-12-21(17(2)13-20-15-33-19(4)27-20)32-23(29)14-22(28)26(5,6)25(31)18(3)24(16)30/h7-10,13,15-16,18,21-22,24,28,30H,11-12,14H2,1-6H3/b9-7+,10-8-,17-13+/t16-,18+,21-,22-,24-/m0/s1
SMILES C/C(=Cc1csc(C)n1)[C@@H]1C/C=CC=CC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Sorangium cellulosum Ref.
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OrganismSorangium cellulosum
ReferenceHardt,J.Nat.Prod.,64,(2001),847