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CHEBI:175080 - 4-Hydroxyenterodiol

ChEBI IDCHEBI:175080
ChEBI Name4-Hydroxyenterodiol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O5
Net Charge0
Average Mass318.369
Monoisotopic Mass318.14672
SMILESOCC(Cc1cccc(O)c1)C(CO)Cc1ccc(O)c(O)c1
InChIInChI=1S/C18H22O5/c19-10-14(6-12-2-1-3-16(21)8-12)15(11-20)7-13-4-5-17(22)18(23)9-13/h1-5,8-9,14-15,19-23H,6-7,10-11H2
InChIKeySSJFHTSLUHPBHD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-Hydroxyenterodiol (CHEBI:175080) is a lignan (CHEBI:25036)
IUPAC Name 
4-[2,3-bis(hydroxymethyl)-4-(3-hydroxyphenyl)butyl]benzene-1,2-diol
Manual XrefsDatabases
35015218ChemSpider
HMDB0041681HMDB