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CHEBI:172610 - Carinol

ChEBI IDCHEBI:172610
ChEBI NameCarinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O7
Net Charge0
Average Mass378.421
Monoisotopic Mass378.16785
SMILESCOc1cc(CC(CO)C(O)(CO)Cc2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C20H26O7/c1-26-18-8-13(3-5-16(18)23)7-15(11-21)20(25,12-22)10-14-4-6-17(24)19(9-14)27-2/h3-6,8-9,15,21-25H,7,10-12H2,1-2H3
InChIKeyINPPVVSEQRZCLJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Carinol (CHEBI:172610) is a lignan (CHEBI:25036)
IUPAC Name 
2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butane-1,2,4-triol
Manual XrefsDatabases
HMDB0030657HMDB
509697ChemSpider