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CHEBI:3958 - Cularine

ChEBI IDCHEBI:3958
ChEBI NameCularine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H23NO4
Net Charge0
Average Mass341.407
Monoisotopic Mass341.16271
SMILES[H][C@]12Cc3cc(OC)c(OC)cc3Oc3c(OC)ccc(c31)CCN2C
InChIInChI=1S/C20H23NO4/c1-21-8-7-12-5-6-15(22-2)20-19(12)14(21)9-13-10-17(23-3)18(24-4)11-16(13)25-20/h5-6,10-11,14H,7-9H2,1-4H3/t14-/m0/s1
InChIKeyDTMXRZMJFCVJQS-AWEZNQCLSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Cularine (CHEBI:3958) is a alkaloid (CHEBI:22315)
Synonym  Source
CularineKEGG COMPOUND
Manual XrefsDatabases
C00001842KNApSAcK
C09411KEGG COMPOUND
Registry NumbersSources
CAS:479-39-0KEGG COMPOUND