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Neoglucobrassicin structure, CAS 5187-84-8

Neoglucobrassicin

CAS Number5187-84-8

Synonyms1-Methoxy-3-indolylmethylglucosinolate; C08424; Neoglucobrassicin

Molecular FormulaC17H22N2O10S2

Molecular Weight478.494

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Cat. No.: 2A-0202724 Purity:
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Chemical & Physical Properties
CAS Number5187-84-8
Catalog No.2A-0202724
Chinese Name1-methoxy-3-indolylmethylglucosinolate
Synonyms1-Methoxy-3-indolylmethylglucosinolate; C08424; Neoglucobrassicin
Molecular FormulaC17H22N2O10S2
Molecular Weight478.494
PubChem ID10619
SMILESCOn1cc(CC(=NOS(=O)(=O)O)SC2OC(CO)C(O)C(O)C2O)c2ccccc21
InChIInChI=1S/C17H22N2O10S2/c1-27-19-7-9(10-4-2-3-5-11(10)19)6-13(18-29-31(24,25)26)30-17-16(23)15(22)14(21)12(8-20)28-17/h2-5,7,12,14-17,20-23H,6,8H2,1H3,(H,24,25,26)/p-1/b18-13-/t12-,14-,15+,16-,17+/m1/s1
InChI KeyPKKMITFKYRCCOL-CMZRPVNOSA-N
Transport InfoProduct name: New glucose brassin potassium salt
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