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CHEBI:192872 - Quercetagetin 3,7-diglucoside

ChEBI IDCHEBI:192872
ChEBI NameQuercetagetin 3,7-diglucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30O18
Net Charge0
Average Mass642.519
Monoisotopic Mass642.14321
SMILESO=c1c(O[C@@H]2OC(CO)[C@@H](O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3OC(CO)[C@H](O)[C@H](O)C3O)c(O)c(O)c12
InChIInChI=1S/C27H30O18/c28-5-12-16(33)20(37)22(39)26(43-12)42-11-4-10-14(18(35)15(11)32)19(36)25(24(41-10)7-1-2-8(30)9(31)3-7)45-27-23(40)21(38)17(34)13(6-29)44-27/h1-4,12-13,16-17,20-23,26-35,37-40H,5-6H2/t12?,13?,16-,17+,20-,21?,22?,23?,26+,27-/m0/s1
InChIKeyRITGTALMSVHEIN-HNJMKMRASA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS3183) Strain: Cryptomeria fortunei Hooibrenk
ChEBI Ontology
Outgoing Relation(s)
Quercetagetin 3,7-diglucoside (CHEBI:192872) is a flavonoids (CHEBI:72544)
Quercetagetin 3,7-diglucoside (CHEBI:192872) is a glycoside (CHEBI:24400)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
LMPK12112891LIPID MAPS
24845488ChemSpider