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CHEBI:191967 - Tambulin 3,5-diacetate

ChEBI IDCHEBI:191967
ChEBI NameTambulin 3,5-diacetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H20O9
Net Charge0
Average Mass428.393
Monoisotopic Mass428.11073
SMILESCOc1ccc(-c2oc3c(OC)c(OC)cc(OC(C)=O)c3c(=O)c2OC(C)=O)cc1
InChIInChI=1S/C22H20O9/c1-11(23)29-15-10-16(27-4)20(28-5)21-17(15)18(25)22(30-12(2)24)19(31-21)13-6-8-14(26-3)9-7-13/h6-10H,1-5H3
InChIKeyAMJOOTWKPBPRPW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
ChEBI Ontology
Outgoing Relation(s)
Tambulin 3,5-diacetate (CHEBI:191967) is a ether (CHEBI:25698)
Tambulin 3,5-diacetate (CHEBI:191967) is a flavonoids (CHEBI:72544)
IUPAC Name 
[3-acetyloxy-7,8-dimethoxy-2-(4-methoxyphenyl)-4-oxochromen-5-yl] acetate
Manual XrefsDatabases
LMPK12113173LIPID MAPS
4475639ChemSpider