input word = C00022603

Metabolite InformationStructural formula
Name 3-Hydroxy-5-methyl-2-[8'-oxo-9-hydroxyfarnesyl]-coumaran-3-one
Formula C24H30O5
Mw 398.20932407
CAS RN 118448-93-4
C_ID C00022603 ,
InChIKey VVBKGKVVVDCESM-GSVJDQSGNA-N
InChICode InChI=1S/C24H30O5/c1-15(2)14-19(25)22(26)18(5)10-6-8-16(3)12-13-24(28)23(27)21-17(4)9-7-11-20(21)29-24/h7,9-12,14,19,25,28H,6,8,13H2,1-5H3/b16-12+,18-10+/t19-,24+/m1/s1
SMILES c1ccc2c(c1C)C(=O)[C@](O2)(O)C/C=C(/CC/C=C(/C(=O)[C@@H](C=C(C)C)O)\C)\C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGypothamnium pinifolium Ref.
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