CHEBI:191967 - Tambulin 3,5-diacetate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Tambulin 3,5-diacetate
ChEBI ID CHEBI:191967
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C22H20O9
Net Charge 0
Average Mass 428.393
Monoisotopic Mass 428.11073
InChI InChI=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
InChIKey AMJOOTWKPBPRPW-UHFFFAOYSA-N
SMILES O1C2=C(C(OC(=O)C)=CC(OC)=C2OC)C(=O)C(OC(=O)C)=C1C3=CC=C(OC)C=C3
Metabolite of Species Details
Populus trichocarpa (NCBI:txid3694) Found in root (BTO:0001188). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
4475639 ChemSpider
LMPK12113173 LIPID MAPS
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