CHEBI:229905 - enterolactone 3'-sulfate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name enterolactone 3'-sulfate
ChEBI ID CHEBI:229905
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H18O7S
Net Charge 0
Average Mass 378.400
Monoisotopic Mass 378.07732
InChI InChI=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
InChIKey CGSFDOCYHBJLFW-PBHICJAKSA-N
SMILES S(OC=1C=C(C[C@H]2[C@@H](COC2=O)CC3=CC(O)=CC=C3)C=CC1)(O)(=O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
128424207 ChemSpider
HMDB0240505 HMDB
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