input word = C00031886

Metabolite InformationStructural formula
Name Inocalophyllin A
Calophynic acid
Formula C35H44O6
Mw 560.31378914
CAS RN 38290-04-9
C_ID C00031886 ,
InChIKey WMAJMUHAAGXJIK-UHFFFAOYNA-N
InChICode InChI=1S/C35H44O6/c1-20(2)14-15-26(22(5)6)19-35(17-16-21(3)4)33(40)29(27(18-28(36)37)25-12-10-9-11-13-25)32(39)30-31(38)23(7)24(8)41-34(30)35/h9-14,16,23-24,26-27,39H,5,15,17-19H2,1-4,6-8H3,(H,36,37)/t23-,24+,26-,27-,35+/m0/s1
SMILES C=C(C)C(CC=C(C)C)CC1(CC=C(C)C)C(=O)C(C(CC(=O)O)c2ccccc2)=C(O)C2=C1OC(C)C(C)C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCalophyllaceae/Clusiaceae/Clusiaceae-GuttiferaeCalophyllum inophyllum L. Ref.
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