input word = C00002950

Metabolite InformationStructural formula
Name Gambogic acid
Cambogic acid
Formula C38H44O8
Mw 628.30361838
CAS RN 2752-65-0
C_ID C00002950 ,
InChIKey GEZHEQNLKAOMCA-YQYUQSEJNA-N
InChICode InChI=1S/C38H44O8/c1-20(2)10-9-15-36(8)16-14-24-29(39)28-30(40)26-18-23-19-27-35(6,7)46-37(33(23)41,17-13-22(5)34(42)43)38(26,27)45-32(28)25(31(24)44-36)12-11-21(3)4/h10-11,13-14,16,18,23,27,39H,9,12,15,17,19H2,1-8H3,(H,42,43)/b22-13-/t23-,27+,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)\C(=O)O)C3=O)O)C=C[C@](O2)(CCC=C(C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia cowa Ref.
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia echinocarpa Ref.
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia gummi-gutta Ref.
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia hanburyi Ref.
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia hombroniana Ref.
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia indica Ref.
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia mangostana Ref.
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia morella Ref.
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia pushpangadaniana Ref.
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia spicata Ref.
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia wightii Ref.
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia xanthochymus Ref.
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OrganismGarcinia morella
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter46