CHEBI:2886 - Aspidodasycarpine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Aspidodasycarpine
ChEBI ID CHEBI:2886
Stars This entity has been manually annotated by a third party.
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Formula C21H26N2O4
Net Charge 0
Average Mass 370.443
Monoisotopic Mass 370.18926
InChI InChI=1S/C21H26N2O4/c1-3-13-11-22-17-10-15(13)19(12-24,18(25)26-2)20-8-9-27-21(17,20)23-16-7-5-4-6-14(16)20/h3-7,15,17,22-24H,8-12H2,1-2H3/b13-3-/t15-,17-,19?,20-,21-/m0/s1
InChIKey OQJSSGHGITUGKL-MEASUVLSSA-N
SMILES COC(=O)C1(CO)[C@H]2C[C@H](NC\C2=C\C)[C@@]23Nc4ccccc4[C@@]12CCO3
ChEBI Ontology
Outgoing Aspidodasycarpine (CHEBI:2886) is a carbazoles (CHEBI:48513)
Aspidodasycarpine (CHEBI:2886) is a methyl ester (CHEBI:25248)
Synonym Source
Aspidodasycarpine KEGG COMPOUND
Manual Xref Database
C09039 KEGG COMPOUND
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Registry Number Type Source
2744-47-0 CAS Registry Number KEGG COMPOUND
Last Modified
09 March 2018