CHEBI:2488 - Adifoline

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Adifoline
ChEBI ID CHEBI:2488
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H20N2O7
Net Charge 0
Average Mass 424.404
Monoisotopic Mass 424.12705
InChI InChI=1S/C22H20N2O7/c1-9-18-12(14(21(28)30-2)8-31-22(18)29)6-15-19-13(7-16(23-15)20(26)27)11-5-10(25)3-4-17(11)24(9)19/h3-5,7-9,12,18,22,25,29H,6H2,1-2H3,(H,26,27)/t9-,12-,18-,22+/m1/s1
InChIKey DJWXVEDJWPDUBQ-DEALGVFLSA-N
SMILES COC(=O)C1=CO[C@H](O)[C@H]2[C@@H]1Cc1nc(cc3c4cc(O)ccc4n([C@@H]2C)c13)C(O)=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Adifoline (CHEBI:2488) is a indole alkaloid (CHEBI:38958)
Adifoline (CHEBI:2488) is a methyl ester (CHEBI:25248)
Synonym Source
Adifoline KEGG COMPOUND
Manual Xrefs Databases
C00001674 KNApSAcK
C09020 KEGG COMPOUND
View more database links
Registry Number Type Source
20072-28-0 CAS Registry Number KEGG COMPOUND
Last Modified
09 March 2018