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CHEBI:168824 - 6-[(4,7-dihydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-5-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:168824
ChEBI Name6-[(4,7-dihydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-5-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O10
Net Charge0
Average Mass386.353
Monoisotopic Mass386.12130
SMILESCC1(C)CC(O)c2c(OC3OC(C(=O)O)C(O)C(O)C3O)cc(O)cc2O1
InChIInChI=1S/C17H22O10/c1-17(2)5-7(19)10-8(3-6(18)4-9(10)27-17)25-16-13(22)11(20)12(21)14(26-16)15(23)24/h3-4,7,11-14,16,18-22H,5H2,1-2H3,(H,23,24)
InChIKeyWUBQRXSKRKKODN-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)
6-[(4,7-dihydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-5-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:168824) is a glycoside (CHEBI:24400)
IUPAC Name 
6-[(4,7-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-5-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0125821HMDB
74886522ChemSpider