EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:169327 - Triuvaretin

ChEBI IDCHEBI:169327
ChEBI NameTriuvaretin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H34O7
Net Charge0
Average Mass590.672
Monoisotopic Mass590.23045
SMILESCOc1c(Cc2cc(Cc3ccccc3O)ccc2O)c(O)c(Cc2ccccc2O)c(O)c1C(=O)CCc1ccccc1
InChIInChI=1S/C37H34O7/c1-44-37-29(22-27-20-24(16-17-32(27)40)19-25-11-5-7-13-30(25)38)35(42)28(21-26-12-6-8-14-31(26)39)36(43)34(37)33(41)18-15-23-9-3-2-4-10-23/h2-14,16-17,20,38-40,42-43H,15,18-19,21-22H2,1H3
InChIKeyMUDLJXNGDNOPHV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
Triuvaretin (CHEBI:169327) is a diarylheptanoid (CHEBI:78802)
IUPAC Name 
1-[2,4-dihydroxy-5-[[2-hydroxy-5-[(2-hydroxyphenyl)methyl]phenyl]methyl]-3-[(2-hydroxyphenyl)methyl]-6-methoxyphenyl]-3-phenylpropan-1-one
Manual XrefsDatabases
8161452ChemSpider
LMPK12120475LIPID MAPS