input word = C00047235

Metabolite InformationStructural formula
Name Gambogellic acid
Formula C38H44O8
Mw 628.30361838
CAS RN 173867-04-4
C_ID C00047235 ,
InChIKey NVYMXCXFPJLTOZ-RGVLZGJSNA-N
InChICode InChI=1S/C38H44O8/c1-18(2)9-10-23-31-27(24-17-36(8,44-31)13-12-22(24)19(3)4)30(40)28-29(39)25-15-21-16-26-35(6,7)46-37(33(21)41,14-11-20(5)34(42)43)38(25,26)45-32(23)28/h9,11,15,21-22,24,26,40H,3,10,12-14,16-17H2,1-2,4-8H3,(H,42,43)/b20-11+/t21-,22-,24-,26+,36-,37+,38-/m1/s1
SMILES C=C(C)C1CCC2(C)CC1c1c(O)c3c(c(CC=C(C)C)c1O2)OC12C(=CC4CC1C(C)(C)OC2(C/C=C(C)C(=O)O)C4=O)C3=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia hanburyi Ref.
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OrganismGarcinia hanburyi
ReferenceTao,J.Nat.Prod.,72,(2009),117