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CHEBI:29586 - Gardneral

ChEBI IDCHEBI:29586
ChEBI NameGardneral
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H22N2O2
Net Charge0
Average Mass322.408
Monoisotopic Mass322.16813
SMILES[H]C1(C=O)[C@@H]2Cc3c(nc4cc(OC)ccc34)[C@]3([H])C[C@H]1/C(=C\C)CN23
InChIInChI=1S/C20H22N2O2/c1-3-11-9-22-18-8-15-13-5-4-12(24-2)6-17(13)21-20(15)19(22)7-14(11)16(18)10-23/h3-6,10,14,16,18-19,21H,7-9H2,1-2H3/b11-3-/t14-,16?,18-,19-/m0/s1
InChIKeyFYFYFFSSNSDDOY-DINRHSDHSA-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)
Gardneral (CHEBI:29586) is a indole alkaloid (CHEBI:38958)
Synonym  Source
GardneralKEGG COMPOUND
Manual XrefsDatabases
C12072KEGG COMPOUND