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CHEBI:195573 - 2''-Acetylorientin

ChEBI IDCHEBI:195573
ChEBI Name2''-Acetylorientin
Stars
Last Modified6 September 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H22O12
Net Charge0
Average Mass490.417
Monoisotopic Mass490.11113
SMILESCC(=O)OC1C(c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)OC(CO)C(O)C1O
InChIInChI=1S/C23H22O12/c1-8(25)33-23-20(32)19(31)16(7-24)35-22(23)18-13(29)5-12(28)17-14(30)6-15(34-21(17)18)9-2-3-10(26)11(27)4-9/h2-6,16,19-20,22-24,26-29,31-32H,7H2,1H3
InChIKeyBUWALTSLLYTARL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Apis mellifera (ncbitaxon:7460) ovary (BTO:0000975) MetaboLights (MTBLS7576)
ChEBI Ontology
Outgoing Relation(s)
2''-Acetylorientin (CHEBI:195573) is a C-glycosyl compound (CHEBI:20857)
2''-Acetylorientin (CHEBI:195573) is a flavonoids (CHEBI:72544)
IUPAC Name 
[2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate
Manual XrefsDatabases
HMDB0303600HMDB