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CHEBI:168446 - 3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-{[2-(2-hydroxypropan-2-yl)-7-oxo-2H,3H,7H-furo[3,2-g]chromen-9-yl]oxy}oxan-2-yl)methoxy]oxane-2-carboxylic acid

ChEBI IDCHEBI:168446
ChEBI Name3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-{[2-(2-hydroxypropan-2-yl)-7-oxo-2H,3H,7H-furo[3,2-g]chromen-9-yl]oxy}oxan-2-yl)methoxy]oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H32O16
Net Charge0
Average Mass600.526
Monoisotopic Mass600.16903
SMILESCC(C)(O)C1Cc2cc3ccc(=O)oc3c(OC3OC(COC4OC(C(=O)O)C(O)C(O)C4O)C(O)C(O)C3O)c2O1
InChIInChI=1S/C26H32O16/c1-26(2,36)11-6-9-5-8-3-4-12(27)40-19(8)22(20(9)39-11)42-25-18(33)14(29)13(28)10(38-25)7-37-24-17(32)15(30)16(31)21(41-24)23(34)35/h3-5,10-11,13-18,21,24-25,28-33,36H,6-7H2,1-2H3,(H,34,35)
InChIKeyDUSJKOBFONIQCV-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)
3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-{[2-(2-hydroxypropan-2-yl)-7-oxo-2H,3H,7H-furo[3,2-g]chromen-9-yl]oxy}oxan-2-yl)methoxy]oxane-2-carboxylic acid (CHEBI:168446) is a coumarins (CHEBI:23403)
3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-{[2-(2-hydroxypropan-2-yl)-7-oxo-2H,3H,7H-furo[3,2-g]chromen-9-yl]oxy}oxan-2-yl)methoxy]oxane-2-carboxylic acid (CHEBI:168446) is a glycoside (CHEBI:24400)
IUPAC Name 
3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[2-(2-hydroxypropan-2-yl)-7-oxo-2,3-dihydrouro[3,2-g]chromen-9-yl]oxy]oxan-2-yl]methoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0132930HMDB