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CHEBI:229905 - enterolactone 3'-sulfate

ChEBI IDCHEBI:229905
ChEBI Nameenterolactone 3'-sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18O7S
Net Charge0
Average Mass378.402
Monoisotopic Mass378.07732
SMILESO=C1OC[C@@H](Cc2cccc(O)c2)[C@@H]1Cc1cccc(OS(=O)(=O)O)c1
InChIInChI=1S/C18H18O7S/c19-15-5-1-3-12(8-15)7-14-11-24-18(20)17(14)10-13-4-2-6-16(9-13)25-26(21,22)23/h1-6,8-9,14,17,19H,7,10-11H2,(H,21,22,23)/t14-,17+/m1/s1
InChIKeyCGSFDOCYHBJLFW-PBHICJAKSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
enterolactone 3'-sulfate (CHEBI:229905) is a lignan (CHEBI:25036)
IUPAC Name 
[3-[[(3S,4S)-4-[(3-hydroxyphenyl)methyl]-2-oxooxolan-3-yl]methyl]phenyl] hydrogen sulate
Manual XrefsDatabases
HMDB0240505HMDB
128424207ChemSpider