input word = C00053741

Metabolite InformationStructural formula
Name R-30-hydroxygambogic acid
Formula C38H44O9
Mw 644.298533
CAS RN 881027-35-6
C_ID C00053741
InChIKey MNNVIONVHRRQPF-ALBYCIQPSA-N
InChICode InChI=1S/C38H44O9/c1-20(2)9-8-14-36(7)15-13-24-29(40)28-30(41)26-17-23-18-27-35(5,6)47-37(33(23)42,16-12-22(19-39)34(43)44)38(26,27)46-32(28)25(31(24)45-36)11-10-21(3)4/h9-10,12-13,15,17,23,27,39-40H,8,11,14,16,18-19H2,1-7H3,(H,43,44)/b22-12-/t23-,27+,36-,37+,38-/m1/s1
SMILES O=C([C@]1(C/C=C(C(O)=O)/CO)OC(C)(C)[C@@H]2C3)[C@@H]3C=C([C@]12O4)C(C(C4=C5C/C=C(C)/C)=C(O)C6=C5O[C@](C)(CC/C=C(C)/C)C=C6)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia hanburyi Ref.
zoom in