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CHEBI:192899 - Isoorientin 2''-O-gallate

ChEBI IDCHEBI:192899
ChEBI NameIsoorientin 2''-O-gallate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H24O15
Net Charge0
Average Mass600.485
Monoisotopic Mass600.11152
SMILES[H][C@@]1(c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)OC(CO)[C@@H](O)[C@H](O)C1OC(=O)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C28H24O15/c29-8-19-23(37)25(39)27(43-28(40)10-4-15(34)22(36)16(35)5-10)26(42-19)21-14(33)7-18-20(24(21)38)13(32)6-17(41-18)9-1-2-11(30)12(31)3-9/h1-7,19,23,25-27,29-31,33-39H,8H2/t19?,23-,25+,26+,27?/m1/s1
InChIKeyKSIULUAZHQTOJC-IDQRCACWSA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS3183) Strain: Cryptomeria fortunei Hooibrenk
ChEBI Ontology
Outgoing Relation(s)
Isoorientin 2''-O-gallate (CHEBI:192899) is a C-glycosyl compound (CHEBI:20857)
Isoorientin 2''-O-gallate (CHEBI:192899) is a flavonoids (CHEBI:72544)
IUPAC Name 
[(2S,4S,5S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate
Manual XrefsDatabases
LMPK12110524LIPID MAPS
24843562ChemSpider