CHEBI:174542 - Archangelin

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 Archangelin
ChEBI ID CHEBI:174542
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H22O4
Net Charge 0
Average Mass 338.403
Monoisotopic Mass 338.15181
InChI InChI=1S/C21H22O4/c1-13-11-21(2,3)8-6-14(13)12-24-20-15-4-5-19(22)25-18(15)10-17-16(20)7-9-23-17/h4-5,7,9-10H,6,8,11-12H2,1-3H3
InChIKey NETRCGJRLNZPCW-UHFFFAOYSA-N
SMILES O(CC=1CCC(CC1C)(C)C)C=2C3=C(OC=C3)C=C4OC(=O)C=CC24
ChEBI Ontology
Outgoing Archangelin (CHEBI:174542) is a psoralens (CHEBI:26369)
IUPAC Name
4-[(2,4,4-trimethylcyclohexen-1-yl)methoxy]uro[3,2-g]chromen-7-one
Manual Xrefs Databases
154271 ChemSpider
HMDB0030846 HMDB
View more database links
Registry Number Type Source
21174-75-4 CAS Registry Number ChemIDplus