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Permethyl 4-hydroxybiphenyl glucuronide
SpectraBase Compound ID EWp55XqHgkD
InChI InChI=1S/C22H26O7/c1-24-17-18(25-2)20(26-3)22(29-19(17)21(23)27-4)28-16-12-10-15(11-13-16)14-8-6-5-7-9-14/h5-13,17-20,22H,1-4H3
InChIKey KYDHYSTXOYZWCZ-UHFFFAOYSA-N
Mol Weight 402.44 g/mol
Molecular Formula C22H26O7
Exact Mass 402.167853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jkv3nka8mGM
Name Permethyl 4-hydroxybiphenyl glucuronide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O7
InChI InChI=1S/C22H26O7/c1-24-17-18(25-2)20(26-3)22(29-19(17)21(23)27-4)28-16-12-10-15(11-13-16)14-8-6-5-7-9-14/h5-13,17-20,22H,1-4H3
InChIKey KYDHYSTXOYZWCZ-UHFFFAOYSA-N
Molecular Weight 402.443 g/mol
SMILES C1(OC(Oc2ccc(cc2)-c2ccccc2)C(C(C1OC)OC)OC)C(=O)OC
SPLASH splash10-0uxu-7950000000-cbba11978bac3aebeffd
Source of Spectrum DU-1-498-16
Synonyms [1,1'-biphenyl]-4-yl methyl 2,3,4-tri-O-methylhexopyranosiduronate
Wiley ID 1370339