CHEBI:174409 - Apigravin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Apigravin
ChEBI ID CHEBI:174409
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/c1-9(2)4-5-10-8-11-6-7-12(16)19-14(11)15(18-3)13(10)17/h4,6-8,17H,5H2,1-3H3
InChIKey NYTURSQQJRVHPG-UHFFFAOYSA-N
SMILES O1C=2C(=CC(CC=C(C)C)=C(O)C2OC)C=CC1=O
ChEBI Ontology
Outgoing Apigravin (CHEBI:174409) is a hydroxycoumarin (CHEBI:37912)
IUPAC Name
7-hydroxy-8-methoxy-6-(3-methylbut-2-enyl)chromen-2-one
Manual Xrefs Databases
30776837 ChemSpider
HMDB0030578 HMDB
View more database links
Registry Number Type Source
72963-64-5 CAS Registry Number ChemIDplus