CHEBI:175039 - 6-Hydroxyenterolactone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 6-Hydroxyenterolactone
ChEBI ID CHEBI:175039
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)16(13)9-12-8-15(20)4-5-17(12)21/h1-5,7-8,13,16,19-21H,6,9-10H2/t13-,16+/m0/s1
InChIKey ZMNWDZAVQFERIQ-XJKSGUPXSA-N
SMILES O1C[C@@H]([C@@H](CC2=C(O)C=CC(O)=C2)C1=O)CC3=CC(O)=CC=C3
ChEBI Ontology
Outgoing 6-Hydroxyenterolactone (CHEBI:175039) is a lignan (CHEBI:25036)
IUPAC Name
(3R,4R)-3-[(2,5-dihydroxyphenyl)methyl]-4-[(3-hydroxyphenyl)methyl]oxolan-2-one
Manual Xrefs Databases
30777601 ChemSpider
HMDB0041700 HMDB
View more database links