EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:192019 - 2'',6''-Diacetylorientin

ChEBI IDCHEBI:192019
ChEBI Name2'',6''-Diacetylorientin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H24O13
Net Charge0
Average Mass532.454
Monoisotopic Mass532.12169
SMILESCC(=O)OCC1OC(c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)C(OC(C)=O)C(O)C1O
InChIInChI=1S/C25H24O13/c1-9(26)35-8-18-21(33)22(34)25(36-10(2)27)24(38-18)20-15(31)6-14(30)19-16(32)7-17(37-23(19)20)11-3-4-12(28)13(29)5-11/h3-7,18,21-22,24-25,28-31,33-34H,8H2,1-2H3
InChIKeyIOPSQVHEVILLRN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
ChEBI Ontology
Outgoing Relation(s)
2'',6''-Diacetylorientin (CHEBI:192019) is a C-glycosyl compound (CHEBI:20857)
2'',6''-Diacetylorientin (CHEBI:192019) is a flavonoids (CHEBI:72544)
IUPAC Name 
[5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-3,4-dihydroxyoxan-2-yl]methyl acetate
Manual XrefsDatabases
35014657ChemSpider
HMDB0038777HMDB