input word = C00010269

Metabolite InformationStructural formula
Name Calophyllic acid
Formula C25H24O6
Mw 420.1572885
CAS RN 11025-23-3
C_ID C00010269 ,
InChIKey SSJOJPHKKKSPGS-ATVHPVEENA-N
InChICode InChI=1S/C25H24O6/c1-13-14(2)30-23-16-10-11-25(3,4)31-24(16)19(22(29)20(23)21(13)28)17(12-18(26)27)15-8-6-5-7-9-15/h5-14,29H,1-4H3,(H,26,27)/b17-12-/t13-,14-/m0/s1
SMILES c12c(c(c(c3c1C=CC(O3)(C)C)/C(=C\C(=O)O)/c1ccccc1)O)C(=O)[C@H]([C@@H](O2)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCalophyllaceae/Clusiaceae/Clusiaceae-GuttiferaeCalophyllum inophyllum Ref.
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OrganismCalophyllum inophyllum
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 517,Isoflavonoids and neoflavonoids

Polonsky,J.Bull.Soc.Chim.Fr.,(1957),1079