input word = C00032000

Metabolite InformationStructural formula
Name Mangostenone A
Formula C28H28O6
Mw 460.18858863
CAS RN 437711-44-9
C_ID C00032000 ,
InChIKey YXCXOSIXGSUDDV-UHFFFAOYSA-N
InChICode InChI=1S/C28H28O6/c1-14(2)7-8-16-20-24(31)21-19(13-18-15(22(21)29)9-11-27(3,4)33-18)32-25(20)17-10-12-28(5,6)34-26(17)23(16)30/h7,9-13,29-30H,8H2,1-6H3
SMILES c12c(c(c3c(c1)oc1c(c3=O)c(c(c3c1C=CC(O3)(C)C)O)CC=C(C)C)O)C=CC(O2)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia mangostana Ref.
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