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CHEBI:202602 - Darlucin B

ChEBI IDCHEBI:202602
ChEBI NameDarlucin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20N2O3
Net Charge0
Average Mass324.380
Monoisotopic Mass324.14739
SMILES[C-]#[N+]C(Cc1ccc(OC)cc1)=C(CC1(O)CCC(=O)CC1)[N+]#[C-]
InChIInChI=1S/C19H20N2O3/c1-20-17(12-14-4-6-16(24-3)7-5-14)18(21-2)13-19(23)10-8-15(22)9-11-19/h4-7,23H,8-13H2,3H3
InChIKeyCRGFGBGZXAOUCP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Emericellopsis fimetaria (ncbitaxon:327576) - PubMed (7868387)
ChEBI Ontology
Outgoing Relation(s)
Darlucin B (CHEBI:202602) is a methoxybenzenes (CHEBI:51683)
IUPAC Name 
4-[2,3-diisocyano-4-(4-methoxyphenyl)but-2-enyl]-4-hydroxycyclohexan-1-one