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CHEBI:168832 - Clusin

ChEBI IDCHEBI:168832
ChEBI NameClusin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26O7
Net Charge0
Average Mass402.443
Monoisotopic Mass402.16785
SMILESCOc1cc(CC2C(Cc3ccc4c(c3)OCO4)COC2O)cc(OC)c1OC
InChIInChI=1S/C22H26O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16,22-23H,6-7,11-12H2,1-3H3
InChIKeySOCNBZCAGNYAED-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Clusin (CHEBI:168832) is a lignan (CHEBI:25036)
IUPAC Name 
4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-ol
Manual XrefsDatabases
24696624ChemSpider
HMDB0029542HMDB