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CHEBI:217765 - Nectrianolin C

ChEBI IDCHEBI:217765
ChEBI NameNectrianolin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H26O
Net Charge0
Average Mass222.372
Monoisotopic Mass222.19837
SMILESCC1=CCC[C@@H](C)[C@]1(C)CC/C(C)=C/CO
InChIInChI=1S/C15H26O/c1-12(9-11-16)8-10-15(4)13(2)6-5-7-14(15)3/h6,9,14,16H,5,7-8,10-11H2,1-4H3/b12-9+/t14-,15-/m1/s1
InChIKeyAGSSBQWESDSART-PRYPJVTBSA-N
Species of MetaboliteComponentSourceComments
Nectria (ncbitaxon:5133) - DOI (10.1016/j.tetlet.2017.09.032)
ChEBI Ontology
Outgoing Relation(s)
Nectrianolin C (CHEBI:217765) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
(E)-3-methyl-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-2-en-1-ol
Manual XrefsDatabases
78439399ChemSpider