input word = C00053243

Metabolite InformationStructural formula
Name Gaudichaudiic acid E
Formula C33H36O9
Mw 576.23593275
CAS RN 214491-39-1
C_ID C00053243
InChIKey QQVYMSAUAKNMII-SIOHMWQTSA-N
InChICode InChI=1S/C33H36O9/c1-15(2)21(34)14-19-26-18(9-10-30(4,5)40-26)24(35)23-25(36)20-12-17-13-22-31(6,7)42-32(28(17)37,11-8-16(3)29(38)39)33(20,22)41-27(19)23/h8-10,12,17,21-22,34-35H,1,11,13-14H2,2-7H3,(H,38,39)/b16-8-/t17-,21?,22+,32+,33-/m1/s1
SMILES C=C(C)C(O)Cc1c2c(c(O)c3c1O[C@]14C(=C[C@@H]5C[C@H]1C(C)(C)O[C@@]4(C/C=C(/C)C(=O)O)C5=O)C3=O)C=CC(C)(C)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia gaudichaudii Ref.
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OrganismGarcinia gaudichaudii
ReferenceAnu Aravind, A. P. et al., Diversity of Garcinia species in the Western Ghats: Phytochemical Perspective (2017), 19-75, ISBN:978-81-924674-5-0