input word = C00042584

Metabolite InformationStructural formula
Name Hippuristerone K
(+)-Hippuristerone K
Formula C33H52O7
Mw 560.37130401
CAS RN 868395-84-0
C_ID C00042584 ,
InChIKey RZVOJQTZUNGQBW-ARWIWSKANA-N
InChICode InChI=1S/C33H52O7/c1-19(20(2)31(7,37)18-38-21(3)34)28(39-22(4)35)32(8)33(40-32)16-13-27-25-10-9-23-17-24(36)11-14-29(23,5)26(25)12-15-30(27,33)6/h19-20,23,25-28,37H,9-18H2,1-8H3/t19-,20-,23-,25+,26-,27-,28+,29-,30-,31-,32-,33-/m0/s1
SMILES CC(=O)OCC(C)(O)[C@@H](C)[C@H](C)[C@@H](OC(C)=O)[C@]1(C)O[C@]12CC[C@H]1[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Isis hippuris Ref.
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OrganismIsis hippuris
ReferenceChao,J.Nat.Prod.,68,(2005),1366