input word = C00053194

Metabolite InformationStructural formula
Name Gambogenin
Formula C38H46O7
Mw 614.32435382
CAS RN 173867-03-3
C_ID C00053194
InChIKey KYPSMUUXSFJTAR-WKFRPZGISA-N
InChICode InChI=1S/C38H46O7/c1-21(2)10-9-11-23(5)13-15-26-31(40)27(14-12-22(3)4)34-30(32(26)41)33(42)28-18-25-19-29-36(7,8)45-37(35(25)43,38(28,29)44-34)17-16-24(6)20-39/h10,12-13,16,18,20,25,29,40-41H,9,11,14-15,17,19H2,1-8H3/b23-13+,24-16-/t25-,29+,37+,38-/m1/s1
SMILES C/C(C)=C/CC1=C2C(C(C([C@]34O2)=C[C@H]5C([C@]3(C/C=C(C=O)/C)OC(C)(C)[C@@H]4C5)=O)=O)=C(O)C(C/C=C(C)/CC/C=C(C)/C)=C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia hanburyi Ref.
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