Morphine-3-glucuronide

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Systematic / IUPAC Name: 3,4,5-Trihydroxy-6-[(7-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-9-yl)oxy]oxane-2-carboxylic acid

ID: Reference493

Other Names: β-D-Glucopyranosiduronic acid, (5α,6α)-7,8-didehydro-4,5-epoxy-6-hydroxy-17-methylmorphinan-3-yl;
Morphine-3-β-D-glucuronide

Formula: C23H27NO9

Class: Drugs of Abuse/Illegal Drugs

Spectral Data

Morphine-3-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 Orbitrap Elite; Q Exactive Orbitrap
No. of Spectral Trees 3
No. of Spectra 375
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI
Analyzers FT
Last Modification 1/28/2015 11:04:11 AM
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Identificators

InChI InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-4-12(25)20(23)32-18-13(5-2-9(14(18)23)8-11(10)24)31-22-17(28)15(26)16(27)19(33-22)21(29)30/h2-5,10-12,15-17,19-20,22,25-28H,6-8H2,1H3,(H,29,30)/t10-,11+,12-,15-,16-,17+,19-,20-,22+,23-/m0/s1
InChI Key WAEXKFONHRHFBZ-ZXDZBKESSA-N
Canonical SMILES O=C(O)C6OC(Oc2c1OC5C(O)\C=C/C4C3N(C)CCC45c1c(cc2)C3)C(O)C(O)C6O
CAS 20290099
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Other Names β-D-Glucopyranosiduronic acid, (5α,6α)-7,8-didehydro-4,5-epoxy-6-hydroxy-17-methylmorphinan-3-yl;
Morphine-3-β-D-glucuronide

In Other Databases

ChEMBL CHEMBL1329
ChemSpider 4588593
Wikipedia Morphine-3-glucuronide
ChemIDPlus 020290099
KEGG C16643
HMDb HMDB41936
PubChem 5484731