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CHEBI:175230 - Dihydroclusin

ChEBI IDCHEBI:175230
ChEBI NameDihydroclusin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28O7
Net Charge0
Average Mass404.459
Monoisotopic Mass404.18350
SMILESCOc1cc(CC(CO)C(CO)Cc2ccc3c(c2)OCO3)cc(OC)c1OC
InChIInChI=1S/C22H28O7/c1-25-20-9-15(10-21(26-2)22(20)27-3)7-17(12-24)16(11-23)6-14-4-5-18-19(8-14)29-13-28-18/h4-5,8-10,16-17,23-24H,6-7,11-13H2,1-3H3
InChIKeyFDHFWHRGVDRJIK-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Dihydroclusin (CHEBI:175230) is a lignan (CHEBI:25036)
IUPAC Name 
2-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]butane-1,4-diol
Manual XrefsDatabases
HMDB0033272HMDB
3198127ChemSpider