input word = C00055595

Metabolite InformationStructural formula
Name 1-isomangostin hydrate
Formula C24H28O7
Mw 428.18350325
CAS RN 26063-95-6
C_ID C00055595
InChIKey QEERGWNVXZILOR-UHFFFAOYSA-N
InChICode InChI=1S/C24H28O7/c1-23(2,28)8-6-13-18-16(11-15(26)21(13)29-5)30-17-10-14(25)12-7-9-24(3,4)31-22(12)19(17)20(18)27/h10-11,25-26,28H,6-9H2,1-5H3
SMILES O=C1C2=C(C=C(O)C(OC)=C2CCC(C)(O)C)OC3=CC(O)=C(CCC(C)(C)O4)C4=C31
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia mangostana Ref.
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