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CHEBI:172692 - Mangostenone B

ChEBI IDCHEBI:172692
ChEBI NameMangostenone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H30O6
Net Charge0
Average Mass462.542
Monoisotopic Mass462.20424
SMILESCC(C)=CCc1c(O)c2c(c3c(=O)c4c(O)c5c(cc4oc13)OC(C)(C)C=C5)CCC(C)(C)O2
InChIInChI=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
InChIKeyCTTYZRNOKDZJRY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Mangostenone B (CHEBI:172692) is a xanthones (CHEBI:51149)
IUPAC Name 
10,22-dihydroxy-7,7,18,18-tetramethyl-11-(3-methylbut-2-enyl)-8,13,17-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3,9,11,14,16(21),19-heptaen-2-one
Manual XrefsDatabases
10282248ChemSpider
HMDB0039903HMDB