CHEBI:180579 - (E)-Squamosamide

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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 (E)-Squamosamide
ChEBI ID CHEBI:180579
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H27NO7
Net Charge 0
Average Mass 465.502
Monoisotopic Mass 465.17875
InChI InChI=1S/C26H27NO7/c1-32-22-13-17(6-9-21(22)29)12-20(18-14-23(33-2)25(30)24(15-18)34-3)26(31)27-11-10-16-4-7-19(28)8-5-16/h4-9,12-15,28-30H,10-11H2,1-3H3,(H,27,31)/b20-12-
InChIKey VEUGFVRUMOLGFJ-NDENLUEZSA-N
SMILES O(C1=CC(/C(/C(=O)NCCC2=CC=C(O)C=C2)=C/C3=CC(OC)=C(O)C=C3)=CC(OC)=C1O)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in pancreas (BTO:0000988). of strain PANC-1 cell [BCGO:0000122] See: MetaboLights Study
ChEBI Ontology
Outgoing (E)-Squamosamide (CHEBI:180579) is a stilbenoid (CHEBI:26776)
IUPAC Name
(Z)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
Manual Xrefs Databases
19712119 ChemSpider
HMDB0041088 HMDB
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