input word = C00050047

Metabolite InformationStructural formula
Name Cycloisobrachycoumarinone epoxide
(-)-Cycloisobrachycoumarinone epoxide
Formula C20H22O5
Mw 342.14672381
CAS RN 190062-46-5
C_ID C00050047 ,
InChIKey QMWJPFXMOOPDTD-QETXXTBHNA-N
InChICode InChI=1S/C20H22O5/c1-10-7-6-8-13-14(10)16-15(18(22)24-13)20(5,11(2)23-16)9-12(21)17-19(3,4)25-17/h6-8,11,17H,9H2,1-5H3/t11-,17-,20-/m1/s1
SMILES c1(c2c(ccc1)oc(=O)c1c2O[C@@H]([C@]1(CC(=O)[C@@H]1C(O1)(C)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeVernonia brachycalyx Ref.
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OrganismVernonia brachycalyx
ReferenceOketch-Rabah,J.Nat.Prod.,60,(1997),458