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1-S-[(1Z)-2-(4-Methoxy-1H-indol-3-yl)-N-(sulfooxy)ethanimidoyl]-1-thiohexopyranose
SpectraBase Compound ID 6QR32zpGo0j
InChI InChI=1S/C17H22N2O10S2/c1-27-10-4-2-3-9-13(10)8(6-18-9)5-12(19-29-31(24,25)26)30-17-16(23)15(22)14(21)11(7-20)28-17/h2-4,6,11,14-18,20-23H,5,7H2,1H3,(H,24,25,26)/b19-12-
InChIKey IIAGSABLXRZUSE-UNOMPAQXSA-N
Mol Weight 478.49 g/mol
Molecular Formula C17H22N2O10S2
Exact Mass 478.071587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4QcFpJW7Ole
Name 1-S-[(1Z)-2-(4-Methoxy-1H-indol-3-yl)-N-(sulfooxy)ethanimidoyl]-1-thiohexopyranose
Alternate Name(s) (1Z)-2-(4-methoxy-1H-indol-3-yl)-N-sulfoxy-thioacetimidic acid (3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl) ester 4-Hydroxy-3-indolylmethyl glucosinolate 4-Methoxy-3-indolylmethyl glucosinolate 4-Methoxyglucobrassicin 4-Moimg (1Z)-2-(4-methoxy-1H-indol-3-yl)-N-sulfooxyethanimidothioic acid [3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-(4-methoxy-1H-indol-3-yl)-N-sulfooxyethanimidothioate [3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1Z)-2-(4-methoxy-1H-indol-3-yl)-N-sulfooxy-ethanimidothioate
CAS Registry Number 83327-21-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N2O10S2
InChI InChI=1S/C17H22N2O10S2/c1-27-10-4-2-3-9-13(10)8(6-18-9)5-12(19-29-31(24,25)26)30-17-16(23)15(22)14(21)11(7-20)28-17/h2-4,6,11,14-18,20-23H,5,7H2,1H3,(H,24,25,26)/b19-12-
InChIKey IIAGSABLXRZUSE-UNOMPAQXSA-N
Molecular Weight 478.487 g/mol
SMILES OC1C(C(S\C(Cc2c[nH]c3c2c(ccc3)OC)=N\OS(=O)(=O)O)OC(C1O)CO)O
SPLASH splash10-0076-9600000000-30d99ed52d91d9e23836
Source of Spectrum W5-1989-35465-30071
Wiley ID 1394946