input word = C00045917

Metabolite InformationStructural formula
Name Epothilone H2
(-)-Epothilone H2
Formula C27H41NO6
Mw 475.29338805
CAS RN 198571-09-4
C_ID C00045917 ,
InChIKey QJBTYCVYJKZKMC-KKWCUJPGNA-N
InChICode InChI=1S/C27H41NO6/c1-16-9-8-10-17(2)25(31)19(4)26(32)27(6,7)23(29)14-24(30)34-22(12-11-16)18(3)13-21-15-33-20(5)28-21/h11,13,15,17,19,22-23,25,29,31H,8-10,12,14H2,1-7H3/b16-11-,18-13+/t17-,19+,22-,23-,25-/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(oc1)C)/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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OrganismSorangium cellulosum
ReferenceHardt,J.Nat.Prod.,64,(2001),847