input word = C00047328

Metabolite InformationStructural formula
Name Oxygambogic acid
(-)-Oxygambogic acid
Formula C38H44O9
Mw 644.298533
CAS RN 1097882-28-4
C_ID C00047328 ,
InChIKey AAEQTEKIFSEBLF-HIIZDWOENA-N
InChICode InChI=1S/C38H44O9/c1-20(2)10-11-24-30-23(13-16-36(8,45-30)15-9-14-34(4,5)44)28(39)27-29(40)25-18-22-19-26-35(6,7)47-37(32(22)41,17-12-21(3)33(42)43)38(25,26)46-31(24)27/h9-10,12-14,16,18,22,26,39,44H,11,15,17,19H2,1-8H3,(H,42,43)/b14-9+,21-12-/t22-,26+,36-,37+,38-/m1/s1
SMILES c12c(c(c3c(c1CC=C(C)C)O[C@@]14C(=C[C@H]5C(=O)[C@@]1(OC([C@@H]4C5)(C)C)C/C=C(\C(=O)O)/C)C3=O)O)C=C[C@@](O2)(C)C/C=C/C(C)(C)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