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CHEBI:168545 - 6-(2-{5,7-dihydroxy-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-2-yl}-4,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:168545
ChEBI Name6-(2-{5,7-dihydroxy-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-2-yl}-4,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H28O18
Net Charge0
Average Mass640.503
Monoisotopic Mass640.12756
SMILESO=C(O)C1OC(Oc2cc(O)c(O)cc2-c2cc(=O)c3c(O)c(C4OC(CO)C(O)C(O)C4O)c(O)cc3o2)C(O)C(O)C1O
InChIInChI=1S/C27H28O18/c28-5-14-17(33)19(35)21(37)24(43-14)16-10(32)4-13-15(18(16)34)9(31)3-11(42-13)6-1-7(29)8(30)2-12(6)44-27-23(39)20(36)22(38)25(45-27)26(40)41/h1-4,14,17,19-25,27-30,32-39H,5H2,(H,40,41)
InChIKeyDFATWXVFIUGZNS-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-(2-{5,7-dihydroxy-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-2-yl}-4,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:168545) is a C-glycosyl compound (CHEBI:20857)
6-(2-{5,7-dihydroxy-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-2-yl}-4,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:168545) is a flavonoids (CHEBI:72544)
IUPAC Name 
6-[2-[5,7-dihydroxy-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-yl]-4,5-dihydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0126132HMDB
74886537ChemSpider