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CHEBI:23325 - clavicipitic acid

ChEBI IDCHEBI:23325
ChEBI Nameclavicipitic acid
Stars
Last Modified15 January 2008
DownloadsMolfile
FormulaC16H18N2O2
Net Charge0
Average Mass270.332
Monoisotopic Mass270.13683
SMILESCC(C)=CC1NC(C(=O)O)Cc2cnc3cccc1c23
InChIInChI=1S/C16H18N2O2/c1-9(2)6-13-11-4-3-5-12-15(11)10(8-17-12)7-14(18-13)16(19)20/h3-6,8,13-14,17-18H,7H2,1-2H3,(H,19,20)
InChIKeyVZMAHZAQMKNJIG-UHFFFAOYSA-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)
clavicipitic acid (CHEBI:23325) has parent hydride 1H-azepino[5,4,3-cd]indole (CHEBI:48268)
clavicipitic acid (CHEBI:23325) is a ergot alkaloid (CHEBI:23943)
Incoming Relation(s)
(−)-cis-clavicipitic acid (CHEBI:48269) is a clavicipitic acid (CHEBI:23325)
(−)-trans-clavicipitic acid (CHEBI:48270) is a clavicipitic acid (CHEBI:23325)
IUPAC Name 
6-(2-methylprop-1-en-1-yl)-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indole-4-carboxylic acid
Registry NumbersSources
Beilstein:4706032Beilstein
Beilstein:554154Beilstein