CHEBI:1737 - 4,21-Dehydrocorynantheine aldehyde

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4,21-Dehydrocorynantheine aldehyde
ChEBI ID CHEBI:1737
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H23N2O3
Net Charge +1
Average Mass 351.420
Monoisotopic Mass 351.17032
InChI InChI=1S/C21H22N2O3/c1-3-13-11-23-9-8-15-14-6-4-5-7-18(14)22-20(15)19(23)10-16(13)17(12-24)21(25)26-2/h3-7,11-13,16,19,22H,1,8-10H2,2H3/p+1/t13-,16-,19-/m0/s1
InChIKey ALAYFJAHDKALQW-AXHNFQJDSA-O
SMILES COC(=O)C(=C/O)\[C@H]1C[C@H]2c3[nH]c4ccccc4c3CC[N+]2=C[C@@H]1C=C
ChEBI Ontology
Outgoing 4,21-Dehydrocorynantheine aldehyde (CHEBI:1737) is a β-carbolines (CHEBI:60834)
Synonym Source
4,21-Dehydrocorynantheine aldehyde KEGG COMPOUND
Manual Xref Database
C11679 KEGG COMPOUND
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Registry Number Type Source
85925-15-1 CAS Registry Number KEGG COMPOUND
Last Modified
09 March 2018