Ethyl-β-D-glucuronide

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Systematic / IUPAC Name: (2S,3S,4S,5R,6R)-6-Ethoxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid

ID: Reference1485

Other Names: Ethyl glucuronide;
Ethyl β-D-6-glucosiduronic acid;
Ethyl-β-D-glucopyranosiduronic acid

Formula: C8H14O7

Class: Drugs of Abuse/Illegal Drugs

Spectral Data

Ethyl-β-D-glucuronide 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 Q Exactive HF Orbitrap; Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 129
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/25/2016 6:13:37 AM
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Identificators

InChI InChI=1S/C8H14O7/c1-2-14-8-5(11)3(9)4(10)6(15-8)7(12)13/h3-6,8-11H,2H2,1H3,(H,12,13)/t3-,4-,5+,6-,8+/m0/s1
InChI Key IWJBVMJWSPZNJH-UQGZVRACSA-N
Canonical SMILES CCO[C@@H]1O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]1O
CAS 17685040
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Other Names Ethyl glucuronide;
Ethyl β-D-6-glucosiduronic acid;
Ethyl-β-D-glucopyranosiduronic acid

In Other Databases

HMDb HMDB10325
ChemSpider 19355701
Wikipedia Ethyl_glucuronide
PubChem 152226