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CHEBI:185712 - Garcinone E

ChEBI IDCHEBI:185712
ChEBI NameGarcinone E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H32O6
Net Charge0
Average Mass464.558
Monoisotopic Mass464.21989
SMILESCC(C)=CCc1c(O)cc2oc3c(CC=C(C)C)c(O)c(O)c(CC=C(C)C)c3c(=O)c2c1O
InChIInChI=1S/C28H32O6/c1-14(2)7-10-17-20(29)13-21-23(24(17)30)27(33)22-18(11-8-15(3)4)25(31)26(32)19(28(22)34-21)12-9-16(5)6/h7-9,13,29-32H,10-12H2,1-6H3
InChIKeyWVJYEKGQSBGNRP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Garcinone E (CHEBI:185712) is a xanthones (CHEBI:51149)
IUPAC Name 
2,3,6,8-tetrahydroxy-1,4,7-tris(3-methylbut-2-enyl)xanthen-9-one
Manual XrefsDatabases
8473979ChemSpider
HMDB0033316HMDB
Registry NumbersSources
CAS:112649-21-5ChemIDplus