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2-Amino-3,4-dihydroxy-4-(4-hydroxyphenyl)butanoic acid

View entire compound with spectra: 1 MS (GC)

2-Amino-3,4-dihydroxy-4-(4-hydroxyphenyl)butanoic acid
SpectraBase Compound ID 7jVKuWcrm5L
InChI InChI=1S/C10H13NO5/c11-7(10(15)16)9(14)8(13)5-1-3-6(12)4-2-5/h1-4,7-9,12-14H,11H2,(H,15,16)
InChIKey SKALBOHJGVPGFQ-UHFFFAOYSA-N
Mol Weight 227.22 g/mol
Molecular Formula C10H13NO5
Exact Mass 227.079373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HsDcoftRJVu
Name 2-Amino-3,4-dihydroxy-4-(4-hydroxyphenyl)butanoic acid
Alternate Name(s) 2-Amino-3,4-dihydroxy-4-(4-hydroxyphenyl)butyric acid 2-Azanyl-4-(4-hydroxyphenyl)-3,4-bis(oxidanyl)butanoic acid 3,4-Dihydroxyhomotyrosine
CAS Registry Number 61172-81-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13NO5
InChI InChI=1S/C10H13NO5/c11-7(10(15)16)9(14)8(13)5-1-3-6(12)4-2-5/h1-4,7-9,12-14H,11H2,(H,15,16)
InChIKey SKALBOHJGVPGFQ-UHFFFAOYSA-N
Molecular Weight 227.216 g/mol
SMILES Oc1ccc(C(C(C(C(=O)O)N)O)O)cc1
SPLASH splash10-0596-4900000000-e707e947cba536d842a6
Source of Spectrum H-59-2030-14
Wiley ID 1228408