CHEBI:175040 - 7-Hydroxyenterolactone

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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 7-Hydroxyenterolactone
ChEBI ID CHEBI:175040
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H18O5
Net Charge 0
Average Mass 314.337
Monoisotopic Mass 314.11542
InChI InChI=1S/C18H18O5/c19-14-5-1-3-11(8-14)7-13-10-23-18(22)16(13)17(21)12-4-2-6-15(20)9-12/h1-6,8-9,13,16-17,19-21H,7,10H2/t13-,16-,17-/m0/s1
InChIKey NRAPUSPCLWHFAN-JQFCIGGWSA-N
SMILES O1C[C@@H]([C@@]([C@@H](O)C2=CC(O)=CC=C2)(C1=O)[H])CC3=CC(O)=CC=C3
ChEBI Ontology
Outgoing 7-Hydroxyenterolactone (CHEBI:175040) is a lignan (CHEBI:25036)
IUPAC Name
(3S,4R)-3-[(R)-hydroxy-(3-hydroxyphenyl)methyl]-4-[(3-hydroxyphenyl)methyl]oxolan-2-one
Manual Xref Database
23327029 ChemSpider
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