CHEBI:175036 - 4-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 4-Hydroxyenterolactone
ChEBI ID CHEBI:175036
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/c19-14-3-1-2-11(7-14)6-13-10-23-18(22)15(13)8-12-4-5-16(20)17(21)9-12/h1-5,7,9,13,15,19-21H,6,8,10H2/t13-,15+/m0/s1
InChIKey NFWHNQANQSCHGT-DZGCQCFKSA-N
SMILES O1C[C@@H]([C@@H](CC2=CC(O)=C(O)C=C2)C1=O)CC3=CC(O)=CC=C3
ChEBI Ontology
Outgoing 4-Hydroxyenterolactone (CHEBI:175036) is a lignan (CHEBI:25036)
IUPAC Name
(3R,4R)-3-[(3,4-dihydroxyphenyl)methyl]-4-[(3-hydroxyphenyl)methyl]oxolan-2-one
Manual Xrefs Databases
9111162 ChemSpider
HMDB0041682 HMDB
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