input word = C00055894

Metabolite InformationStructural formula
Name Gaudichaudiic acid I
Formula C40H46O9
Mw 670.31418307
CAS RN 321905-80-0
C_ID C00055894
InChIKey XRWTUHQDTBWRSS-OEIWDPQBSA-N
InChICode InChI=1S/C40H46O9/c1-11-36(5,6)28-32-25(21-17-19(3)13-14-23(21)37(7,8)47-32)29(41)26-30(42)27-31(46-12-2)22-18-24-38(9,10)49-39(34(22)43,16-15-20(4)35(44)45)40(24,27)48-33(26)28/h11,13-15,17,22,24,27,31,41H,1,12,16,18H2,2-10H3,(H,44,45)/b20-15+/t22-,24-,27+,31-,39-,40-/m0/s1
SMILES C=CC(C)(C)c1c2c(c(O)c3c1OC(C)(C)c1ccc(C)cc1-3)C(=O)[C@@H]1[C@@H](OCC)[C@@H]3C[C@H]4C(C)(C)O[C@@](C/C=C(C)C(=O)O)(C3=O)[C@@]14O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia gaudichaudii Ref.
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OrganismGarcinia gaudichaudii
ReferenceAravind, A. P. A et al., Diversity of Garcinia species in the Western Ghats: Phytochemical Perspective, Chapter 2, (2016), p.19-70.