input word = C00045908

Metabolite InformationStructural formula
Name Epothilone C7
(-)-Epothilone C7
Formula C26H39NO6S
Mw 493.24980872
CAS RN 252917-44-5
C_ID C00045908 ,
InChIKey XHORAZNTIGWOJV-KVPIUANYNA-N
InChICode InChI=1S/C26H39NO6S/c1-15-10-8-7-9-11-20(28)24(16(2)12-19-14-34-18(4)27-19)33-22(30)13-21(29)26(5,6)25(32)17(3)23(15)31/h9,11-12,14-15,17,20-21,23-24,28-29,31H,7-8,10,13H2,1-6H3/b11-9-,16-12+/t15-,17+,20-,21-,23-,24+/m0/s1
SMILES C1(=O)[C@@H]([C@H]([C@H](CCC/C=C\[C@@H]([C@H](OC(=O)C[C@@H](C1(C)C)O)/C(=C/c1nc(sc1)C)/C)O)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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