CHEBI:191571 - Natsudaidain

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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 Natsudaidain
ChEBI ID CHEBI:191571
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H22O9
Net Charge 0
Average Mass 418.398
Monoisotopic Mass 418.12638
InChI InChI=1S/C21H22O9/c1-24-11-8-7-10(9-12(11)25-2)16-15(23)14(22)13-17(26-3)19(27-4)21(29-6)20(28-5)18(13)30-16/h7-9,23H,1-6H3
InChIKey CCJBNIRSVUKABH-UHFFFAOYSA-N
SMILES O1C2=C(C(OC)=C(OC)C(OC)=C2OC)C(=O)C(O)=C1C3=CC(OC)=C(OC)C=C3
Metabolite of Species Details
Ulmus parvifolia (NCBI:txid63058) Found in bark (BTO:0001301). See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058) Found in seed (BTO:0001226). See: MetaboLights Study
ChEBI Ontology
Outgoing Natsudaidain (CHEBI:191571) is a hydroxyflavan (CHEBI:72010)
IUPAC Name
2-(3,4-dimethoxyphenyl)-3-hydroxy-5,6,7,8-tetramethoxychromen-4-one
Manual Xrefs Databases
2341642 ChemSpider
HMDB0030160 HMDB
LMPK12113344 LIPID MAPS
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Registry Number Type Source
35154-55-3 CAS Registry Number ChemIDplus