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CHEBI:192895 - Tagetiin

ChEBI IDCHEBI:192895
ChEBI NameTagetiin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O13
Net Charge0
Average Mass480.378
Monoisotopic Mass480.09039
SMILESO=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)c(O)c(O)c12
InChIInChI=1S/C21H20O13/c22-5-11-14(27)17(30)18(31)21(33-11)34-20-16(29)12-10(4-9(25)13(26)15(12)28)32-19(20)6-1-2-7(23)8(24)3-6/h1-4,11,14,17-18,21-28,30-31H,5H2/t11-,14-,17+,18-,21+/m1/s1
InChIKeyYUANNBKEZDNSIV-CZTZGLBASA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS4099) Strain: Cryptomeria fortunei Hooibrenk
ChEBI Ontology
Outgoing Relation(s)
Tagetiin (CHEBI:192895) is a flavonoids (CHEBI:72544)
Tagetiin (CHEBI:192895) is a glycoside (CHEBI:24400)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
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