input word = C00056095

Metabolite InformationStructural formula
Name Tetrahydrogambogic acid
Formula C38H48O8
Mw 632.33491851
CAS RN 286934-84-7
C_ID C00056095
InChIKey CXFIQFGADOTDPF-CMLKYFHXSA-N
InChICode InChI=1S/C38H48O8/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/h10-11,13-14,16,23,26-27,33,39,41H,9,12,15,17-19H2,1-8H3,(H,42,43)/b22-13-/t23-,26?,27+,33?,36-,37+,38-/m1/s1
SMILES OC1[C@@H]2CC3C(C4=C(O)C5=C(O[C@@](CC/C=C(C)/C)(C)C=C5)C(C/C=C(C)/C)=C4O[C@]36[C@@]1(C/C=C(C(O)=O)/C)OC(C)(C)[C@@H]6C2)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia hanburyi Ref.
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