Enterolactone

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Systematic / IUPAC Name: (3S,4S)-3,4-Bis[(3-hydroxyphenyl)methyl]oxolan-2-one

ID: Reference13978

Other Names: AA-2624

Formula: C18H18O4

Class: Endogenous Metabolites

Spectral Data

Enterolactone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 2
No. of Spectra 4199
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 7/6/2026 7:52:54 PM
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Identificators

InChI InChI=1S/C18H18O4/c19-15-5-1-3-12(8-15)7-14-11-22-18(21)17(14)10-13-4-2-6-16(20)9-13/h1-6,8-9,14,17,19-20H,7,10-11H2/t14-,17+/m1/s1
InChI Key HVDGDHBAMCBBLR-PBHICJAKSA-N
Canonical SMILES O=C1OC[C@@H](Cc2cccc(O)c2)[C@@H]1Cc1cccc(O)c1
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Other Names AA-2624

In Other Databases

ChEBI CHEBI:81555
KEGG C18165
ChEMBL CHEMBL2391150
ChemSpider 102727
PubChem 114739; 114739