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CHEBI:168348 - 1-(2-Hydroxyphenylamino)-1-deoxy-beta-D-gentiobioside 1,2-carbamate

ChEBI IDCHEBI:168348
ChEBI Name1-(2-Hydroxyphenylamino)-1-deoxy-beta-D-gentiobioside 1,2-carbamate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H25NO12
Net Charge0
Average Mass459.404
Monoisotopic Mass459.13768
SMILESO=C1OC2C(O)C(O)C(COC3OC(CO)C(O)C(O)C3O)OC2N1c1ccccc1O
InChIInChI=1S/C19H25NO12/c21-5-9-11(23)13(25)15(27)18(31-9)29-6-10-12(24)14(26)16-17(30-10)20(19(28)32-16)7-3-1-2-4-8(7)22/h1-4,9-18,21-27H,5-6H2
InChIKeyUQUJYJFBLXCVJV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
1-(2-Hydroxyphenylamino)-1-deoxy-beta-D-gentiobioside 1,2-carbamate (CHEBI:168348) is a glycoside (CHEBI:24400)
IUPAC Name 
6,7-dihydroxy-3-(2-hydroxyphenyl)-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5,6,7,7a-tetrahydro-3aH-pyrano[2,3-d][1,3]oxazol-2-one
Manual XrefsDatabases
20056966ChemSpider
HMDB0037551HMDB