input word = C00045910

Metabolite InformationStructural formula
Name Epothilone C9
(-)-Epothilone C9
Formula C26H39NO6S
Mw 493.24980872
CAS RN 252917-47-8
C_ID C00045910 ,
InChIKey RPXWIALRKLAACL-BPKOHUKNNA-N
InChICode InChI=1S/C26H39NO6S/c1-16-10-8-6-7-9-11-21(19(14-28)12-20-15-34-18(3)27-20)33-23(30)13-22(29)26(4,5)25(32)17(2)24(16)31/h7,9,12,15-17,21-22,24,28-29,31H,6,8,10-11,13-14H2,1-5H3/b9-7-,19-12+/t16-,17+,21-,22-,24-/m0/s1
SMILES C1(=O)[C@@H]([C@H]([C@H](CCC/C=C\C[C@H](OC(=O)C[C@@H](C1(C)C)O)/C(=C/c1nc(sc1)C)/CO)C)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro
Organism
Kingdom Family Species Reference
--Sorangium cellulosum Ref.
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