input word = C00045899

Metabolite InformationStructural formula
Name Epothilone A8
(-)-Epothilone A8
Formula C25H37NO6S
Mw 479.23415865
CAS RN 252917-31-0
C_ID C00045899 ,
InChIKey HQOMWNCHRWPRQE-BLNKELTLNA-N
InChICode InChI=1S/C25H37NO6S/c1-14-7-6-8-19-20(32-19)11-18(10-9-17-13-33-16(3)26-17)31-22(28)12-21(27)25(4,5)24(30)15(2)23(14)29/h9-10,13-15,18-21,23,27,29H,6-8,11-12H2,1-5H3/b10-9+/t14-,15+,18+,19+,20-,21-,23+/m0/s1
SMILES O1[C@@H]2CCC[C@@H]([C@H]([C@H](C(=O)C([C@H](CC(=O)O[C@@H](C[C@H]12)/C=C/c1nc(sc1)C)O)(C)C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro L-Lys
Organism
Kingdom Family Species Reference
--Sorangium cellulosum Ref.
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