EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:202074 - Similin B

ChEBI IDCHEBI:202074
ChEBI NameSimilin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H23NO3
Net Charge0
Average Mass265.353
Monoisotopic Mass265.16779
SMILESCC[C@@H](C)C1=C(OC)C(=O)[C@@](C)(CC)C(=O)/C1=C\N
InChIInChI=1S/C15H23NO3/c1-6-9(3)11-10(8-16)13(17)15(4,7-2)14(18)12(11)19-5/h8-9H,6-7,16H2,1-5H3/b10-8-/t9-,15+/m1/s1
InChIKeyUYAKMJUNAXPYTG-OUEHEYQUSA-N
Species of MetaboliteComponentSourceComments
Preussia similis (ncbitaxon:269685) - DOI (10.1016/s0040-4039(00)91884-7)
ChEBI Ontology
Outgoing Relation(s)
Similin B (CHEBI:202074) is a p-menthane monoterpenoid (CHEBI:25186)
IUPAC Name 
(2S,6Z)-6-(aminomethylidene)-5-[(2R)-butan-2-yl]-2-ethyl-4-methoxy-2-methylcyclohex-4-ene-1,3-dione
Manual XrefsDatabases
78436155ChemSpider