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CHEBI:2988 - Baloxine

ChEBI IDCHEBI:2988
ChEBI NameBaloxine
Stars
Last Modified9 March 2018
DownloadsMolfile
FormulaC21H24N2O4
Net Charge0
Average Mass368.433
Monoisotopic Mass368.17361
SMILES[H][C@@]12N3CC[C@]14C(=C(C(=O)OC)C[C@]2([C@H](C)O)CC(=O)C3)Nc1ccccc14
InChIInChI=1S/C21H24N2O4/c1-12(24)20-9-13(25)11-23-8-7-21(19(20)23)15-5-3-4-6-16(15)22-17(21)14(10-20)18(26)27-2/h3-6,12,19,22,24H,7-11H2,1-2H3/t12-,19-,20-,21-/m0/s1
InChIKeyCQSFDKICYDHRGT-XSGSXHBCSA-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)
Baloxine (CHEBI:2988) is a alkaloid (CHEBI:22315)
Baloxine (CHEBI:2988) is a methyl ester (CHEBI:25248)
Synonym  Source
BaloxineKEGG COMPOUND
Manual XrefsDatabases
C09045KEGG COMPOUND
Registry NumbersSources
CAS:38225-09-1KEGG COMPOUND