γ-CEHC

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Systematic / IUPAC Name: 3-(6-Hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl)propanoic acid

ID: Reference13953

Other Names: 2,7,8-Trimethyl-2-(β-carboxyethyl)-6-hydroxychroman;
AA-2613

Formula: C15H20O4

Class: Endogenous Metabolites

Spectral Data

γ-CEHC 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 2883
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 6/12/2026 1:35:09 PM
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Identificators

InChI InChI=1S/C15H20O4/c1-9-10(2)14-11(8-12(9)16)4-6-15(3,19-14)7-5-13(17)18/h8,16H,4-7H2,1-3H3,(H,17,18)
InChI Key VMJQLPNCUPGMNQ-UHFFFAOYSA-N
Canonical SMILES Cc1c(O)cc2c(c1C)OC(C)(CCC(=O)O)CC2
CAS
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Other Names 2,7,8-Trimethyl-2-(β-carboxyethyl)-6-hydroxychroman;
AA-2613

In Other Databases

ChEBI CHEBI:89379
ChEMBL CHEMBL2151598
PubChem 133098
ChemSpider 117455
HMDb HMDB0001931; HMDB0001931