CHEBI:174411 - Citrusal

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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 Citrusal
ChEBI ID CHEBI:174411
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H16O4
Net Charge 0
Average Mass 260.289
Monoisotopic Mass 260.10486
InChI InChI=1S/C15H16O4/c1-15(2,9-16)8-11-12(18-3)6-4-10-5-7-13(17)19-14(10)11/h4-7,9H,8H2,1-3H3
InChIKey VCYVDHAWDPDCKW-UHFFFAOYSA-N
SMILES O1C=2C(CC(C)(C)C=O)=C(OC)C=CC2C=CC1=O
ChEBI Ontology
Outgoing Citrusal (CHEBI:174411) is a coumarins (CHEBI:23403)
IUPAC Name
3-(7-methoxy-2-oxochromen-8-yl)-2,2-dimethylpropanal
Manual Xrefs Databases
4477732 ChemSpider
HMDB0030788 HMDB
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