input word = C00040740

Metabolite InformationStructural formula
Name (-)-Isohibalactone
Formula C20H16O6
Mw 352.09468824
CAS RN 22554-63-8
C_ID C00040740 ,
InChIKey CMJGAYUQSLJSCR-BCVPWBGWNA-N
InChICode InChI=1S/C20H16O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,6-8,14H,5,9-11H2/b15-6-/t14-/m0/s1
SMILES C1[C@@H](/C(=C/c2cc3c(cc2)OCO3)/C(=O)O1)Cc1ccc2c(c1)OCO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus baccata Ref.
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OrganismTaxus baccata
ReferenceParmar,Phytochem.,50,(1999),1267