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CHEBI:166993 - callicarpenal

ChEBI IDCHEBI:166993
ChEBI Namecallicarpenal
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H26O
Net Charge0
Average Mass234.383
Monoisotopic Mass234.19837
SMILES[H][C@]12CCC=C(C)[C@]1(C)CC[C@@H](C)[C@]2(C)CC=O
InChIInChI=1S/C16H26O/c1-12-6-5-7-14-15(12,3)9-8-13(2)16(14,4)10-11-17/h6,11,13-14H,5,7-10H2,1-4H3/t13-,14+,15+,16+/m1/s1
InChIKeyMPWIIQYWQOBNKS-UGUYLWEFSA-N
Species of MetaboliteComponentSourceComments
Nicotiana benthamiana (ncbitaxon:4100) leaf (BTO:0000713) Article
ChEBI Ontology
Outgoing Relation(s)
callicarpenal (CHEBI:166993) is a aldehyde (CHEBI:17478)
callicarpenal (CHEBI:166993) is a octahydronaphthalenes (CHEBI:138397)
callicarpenal (CHEBI:166993) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
2-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]acetaldehyde
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9282422ChemSpider