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CHEBI:81002 - Glucosisymbrin

ChEBI IDCHEBI:81002
ChEBI NameGlucosisymbrin
Stars
Last Modified7 March 2024
DownloadsMolfile
FormulaC10H19NO10S2
Net Charge0
Average Mass377.393
Monoisotopic Mass377.04504
SMILESCC(CO)C(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H19NO10S2/c1-4(2-12)9(11-21-23(17,18)19)22-10-8(16)7(15)6(14)5(3-13)20-10/h4-8,10,12-16H,2-3H2,1H3,(H,17,18,19)/t4?,5-,6-,7+,8-,10+/m1/s1
InChIKeyWMJAKSMGNADDKY-QTCACZPWSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
Glucosisymbrin (CHEBI:81002) is a glucosinolic acid (CHEBI:79316)
Synonym  Source
1-Methyl-2-hydroxyetyl glucosinolateKEGG COMPOUND
Manual XrefsDatabases
C17275KEGG COMPOUND