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CHEBI:192845 - Quercetin 3-(2'''-galloylglucosyl)-(1->2)-alpha-L-arabinofuranoside

ChEBI IDCHEBI:192845
ChEBI NameQuercetin 3-(2'''-galloylglucosyl)-(1->2)-alpha-L-arabinofuranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H32O20
Net Charge0
Average Mass748.599
Monoisotopic Mass748.14869
SMILESO=C(OC1[C@H](O[C@H]2C(O)[C@@H](CO)O[C@H]2Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)OC(CO)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C33H32O20/c34-8-19-23(43)26(46)30(51-31(47)11-4-16(40)22(42)17(41)5-11)33(49-19)53-29-24(44)20(9-35)50-32(29)52-28-25(45)21-15(39)6-12(36)7-18(21)48-27(28)10-1-2-13(37)14(38)3-10/h1-7,19-20,23-24,26,29-30,32-44,46H,8-9H2/t19?,20-,23-,24?,26+,29+,30?,32+,33+/m1/s1
InChIKeyJPICQHQVPWZCIW-ZNFLAGFDSA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS3183) Strain: Cryptomeria fortunei Hooibrenk
ChEBI Ontology
Outgoing Relation(s)
Quercetin 3-(2'''-galloylglucosyl)-(1->2)-alpha-L-arabinofuranoside (CHEBI:192845) is a flavonoids (CHEBI:72544)
Quercetin 3-(2'''-galloylglucosyl)-(1->2)-alpha-L-arabinofuranoside (CHEBI:192845) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2S,4S,5S)-2-[(2S,3S,5R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate
Manual XrefsDatabases
LMPK12110568LIPID MAPS
24843603ChemSpider