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CHEBI:190765 - 3,4,5-trihydroxy-6-({2-[2-(2-hydroxypropan-2-yl)-7-oxo-2H,3H,7H-furo[3,2-g]chromen-6-yl]-2-methylbut-3-en-1-yl}oxy)oxane-2-carboxylic acid

ChEBI IDCHEBI:190765
ChEBI Name3,4,5-trihydroxy-6-({2-[2-(2-hydroxypropan-2-yl)-7-oxo-2H,3H,7H-furo[3,2-g]chromen-6-yl]-2-methylbut-3-en-1-yl}oxy)oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H30O11
Net Charge0
Average Mass506.504
Monoisotopic Mass506.17881
SMILESC=CC(C)(COC1OC(C(=O)O)C(O)C(O)C1O)c1cc2cc3c(cc2oc1=O)OC(C(C)(C)O)C3
InChIInChI=1S/C25H30O11/c1-5-25(4,10-33-23-19(28)17(26)18(27)20(36-23)21(29)30)13-7-11-6-12-8-16(24(2,3)32)34-14(12)9-15(11)35-22(13)31/h5-7,9,16-20,23,26-28,32H,1,8,10H2,2-4H3,(H,29,30)
InChIKeyXXFCBPIMGMNTRN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-({2-[2-(2-hydroxypropan-2-yl)-7-oxo-2H,3H,7H-furo[3,2-g]chromen-6-yl]-2-methylbut-3-en-1-yl}oxy)oxane-2-carboxylic acid (CHEBI:190765) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
3,4,5-trihydroxy-6-[2-[2-(2-hydroxypropan-2-yl)-7-oxo-2,3-dihydrouro[3,2-g]chromen-6-yl]-2-methylbut-3-enoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0130307HMDB