input word = C00030343

Metabolite InformationStructural formula
Name Gambogoic acid A
Formula C39H48O9
Mw 660.32983313
CAS RN 8879-23-49-1
C_ID C00030343 ,
InChIKey WRIWCDIPAFGNEY-RSODBNSYNA-N
InChICode InChI=1S/C39H48O9/c1-20(2)11-10-16-37(8)17-15-23-29(40)27-30(41)28-33(45-9)25-19-26-36(6,7)48-38(34(25)42,18-14-22(5)35(43)44)39(26,28)47-32(27)24(31(23)46-37)13-12-21(3)4/h11-12,14-15,17,25-26,28,33,40H,10,13,16,18-19H2,1-9H3,(H,43,44)/b22-14-/t25-,26-,28-,33-,37+,38-,39-/m0/s1
SMILES c12c(c(c3c(c1CC=C(C)C)O[C@@]14[C@@H](C3=O)[C@H]([C@H]3C(=O)[C@@]1(OC([C@@H]4C3)(C)C)C/C=C(\C(=O)O)/C)OC)O)C=C[C@](O2)(CCC=C(C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia hanburyi Ref.
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