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CHEBI:197880 - N-trans-cinnamoyl 2-amino-3a,4,5,6,7,8,9,10,11,12,13,13a-dodecahydrocyclododeca[d]oxazole

Default Structure
ChEBI IDCHEBI:197880
ChEBI NameN-trans-cinnamoyl 2-amino-3a,4,5,6,7,8,9,10,11,12,13,13a-dodecahydrocyclododeca[d]oxazole
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30N2O2
Net Charge0
Average Mass354.494
Monoisotopic Mass354.23073
SMILESO=C(/C=C/c1ccccc1)NC1=N[C@@H]2CCCCCCCCCC[C@H]2O1
InChIInChI=1S/C22H30N2O2/c25-21(17-16-18-12-8-7-9-13-18)24-22-23-19-14-10-5-3-1-2-4-6-11-15-20(19)26-22/h7-9,12-13,16-17,19-20H,1-6,10-11,14-15H2,(H,23,24,25)/b17-16+/t19-,20-/m1/s1
InChIKeyXZORUNHMSUAKIS-YBNLGUDHSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (22548364)
ChEBI Ontology
Outgoing Relation(s)
N-trans-cinnamoyl 2-amino-3a,4,5,6,7,8,9,10,11,12,13,13a-dodecahydrocyclododeca[d]oxazole (CHEBI:197880) has functional parent cinnamic acid (CHEBI:27386)
N-trans-cinnamoyl 2-amino-3a,4,5,6,7,8,9,10,11,12,13,13a-dodecahydrocyclododeca[d]oxazole (CHEBI:197880) is a olefinic compound (CHEBI:78840)
IUPAC Name 
(E)-N-[(3aR,13aR)-3a,4,5,6,7,8,9,10,11,12,13,13a-dodecahydrocyclododeca[d][1,3]oxazol-2-yl]-3-phenylprop-2-enamide
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28637915ChemSpider