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CHEBI:48270 - (−)-trans-clavicipitic acid

Default Structure
ChEBI IDCHEBI:48270
ChEBI Name(−)-trans-clavicipitic acid
Stars
ASCII Name(-)-trans-clavicipitic acid
Last Modified15 January 2008
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC16H18N2O2
Net Charge0
Average Mass270.332
Monoisotopic Mass270.13683
SMILESCC(C)=C[C@H]1N[C@H](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)/t13-,14+/m1/s1
InChIKeyVZMAHZAQMKNJIG-KGLIPLIRSA-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)
(−)-trans-clavicipitic acid (CHEBI:48270) is a clavicipitic acid (CHEBI:23325)
IUPAC Name 
(4S,6R)-6-(2-methylprop-1-en-1-yl)-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indole-4-carboxylic acid
Synonym  Source
(4S,6R)-clavicipitic acidChEBI
Registry NumbersSources
Beilstein:4706035Beilstein