input word = C00046121

Metabolite InformationStructural formula
Name Mangostenone B
Formula C28H30O6
Mw 462.20423869
CAS RN 437711-45-0
C_ID C00046121 ,
InChIKey CTTYZRNOKDZJRY-UHFFFAOYSA-N
InChICode InChI=1S/C28H30O6/c1-14(2)7-8-17-23(30)26-16(10-12-28(5,6)34-26)20-24(31)21-19(32-25(17)20)13-18-15(22(21)29)9-11-27(3,4)33-18/h7,9,11,13,29-30H,8,10,12H2,1-6H3
SMILES C1=Cc2c(OC1(C)C)cc1c(c2O)c(=O)c2c(o1)c(c(c1c2CCC(O1)(C)C)O)CC=C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia mangostana Ref.
zoom in