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CHEBI:200550 - Lorneic acid B

ChEBI IDCHEBI:200550
ChEBI NameLorneic acid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O3
Net Charge0
Average Mass276.376
Monoisotopic Mass276.17254
SMILESCCCCC[C@H](O)c1cc(C)ccc1/C=C/CC(=O)O
InChIInChI=1S/C17H24O3/c1-3-4-5-8-16(18)15-12-13(2)10-11-14(15)7-6-9-17(19)20/h6-7,10-12,16,18H,3-5,8-9H2,1-2H3,(H,19,20)/b7-6+/t16-/m0/s1
InChIKeyUPEPIFABRQWHTB-MOEXGYKKSA-N
Species of MetaboliteComponentSourceComments
Actinomyces (ncbitaxon:1654) - PubMed (19856955)
ChEBI Ontology
Outgoing Relation(s)
Lorneic acid B (CHEBI:200550) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
(E)-4-[2-(1-hydroxyhexyl)-4-methylphenyl]but-3-enoic acid
Manual XrefsDatabases
24659837ChemSpider