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CHEBI:176350 - Sinapoyl glucose

ChEBI IDCHEBI:176350
ChEBI NameSinapoyl glucose
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O10
Net Charge0
Average Mass386.353
Monoisotopic Mass386.12130
SMILESCOc1cc(/C=C/C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)cc(OC)c1O
InChIInChI=1S/C17H22O10/c1-26-11-5-8(6-12(27-2)15(11)23)3-4-9(19)13(21)16(24)17(25)14(22)10(20)7-18/h3-6,10,14,16-18,20,22-25H,7H2,1-2H3/b4-3+/t10-,14-,16+,17+/m1/s1
InChIKeyQWIIMHNSFMCFHE-IWHNWRMISA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) leaf (BTO:0000713) MetaboLights (MTBLS2566)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Sinapoyl glucose (CHEBI:176350) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
(E,5R,6S,7R,8R)-5,6,7,8,9-pentahydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)non-1-ene-3,4-dione
Manual XrefsDatabases
19127776ChemSpider