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CHEBI:230615 - aliarin 4'-methyl ether

ChEBI IDCHEBI:230615
ChEBI Namealiarin 4'-methyl ether
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H26O8
Net Charge0
Average Mass430.453
Monoisotopic Mass430.16277
SMILESCOc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1CCC(C)(C)O
InChIInChI=1S/C23H26O8/c1-23(2,27)9-8-12-10-13(6-7-15(12)28-3)20-22(30-5)19(26)17-16(31-20)11-14(24)21(29-4)18(17)25/h6-7,10-11,24-25,27H,8-9H2,1-5H3
InChIKeyDKLGTRLGRWKLHB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
aliarin 4'-methyl ether (CHEBI:230615) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
5,7-dihydroxy-2-[3-(3-hydroxy-3-methylbutyl)-4-methoxyphenyl]-3,6-dimethoxychromen-4-one
Manual XrefsDatabases
24845470ChemSpider
LMPK12112856LIPID MAPS