input word = C00038761

Metabolite InformationStructural formula
Name Cichoridiol
(+)-Cichoridiol
Formula C30H50O2
Mw 442.38108084
CAS RN 1011717-97-7
C_ID C00038761 ,
InChIKey BRSGFKGWKATOQT-IVRZEDSCNA-N
InChICode InChI=1S/C30H50O2/c1-18-19(2)25-20-9-10-23-28(6)13-12-24(32)26(3,4)22(28)11-14-30(23,8)29(20,7)16-15-27(25,5)17-21(18)31/h19-25,31-32H,1,9-17H2,2-8H3/t19-,20+,21+,22-,23+,24-,25+,27-,28-,29+,30+/m0/s1
SMILES C=C1[C@H](O)C[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@H]1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCichorium intybus Ref.
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OrganismCichorium intybus
ReferenceAtta-ur-Rahman,J.Nat.Prod.,71,(2008),910