input word = C00055855

Metabolite InformationStructural formula
Name gambogeninol
Formula C38H48O7
Mw 616.34000389
CAS RN 1349474-22-1
C_ID C00055855
InChIKey JCMVTPCWKQJFSB-WKFRPZGISA-N
InChICode InChI=1S/C38H48O7/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/h10,12-13,16,18,25,29,39-41H,9,11,14-15,17,19-20H2,1-8H3/b23-13+,24-16-/t25-,29+,37+,38-/m1/s1
SMILES OC1=C(C/C=C(C)/CC/C=C(C)/C)C(O)=C(C(C([C@]23O4)=C[C@H]5C([C@]2(C/C=C(C)CO)OC(C)(C)[C@@H]3C5)=O)=O)C4=C1C/C=C(C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia hanburyi Ref.
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OrganismGarcinia hanburyi
ReferenceAravind, A. P. A et al., Diversity of Garcinia species in the Western Ghats: Phytochemical Perspective, Chapter 2, (2016), p.19-70.