EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:183934 - NCGC00169093-01

ChEBI IDCHEBI:183934
ChEBI NameNCGC00169093-01
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESC=C(C(=O)O)C1CC2=C(C)CCCC2(C)C[C@@H]1O
InChIInChI=1S/C15H22O3/c1-9-5-4-6-15(3)8-13(16)11(7-12(9)15)10(2)14(17)18/h11,13,16H,2,4-8H2,1,3H3,(H,17,18)/t11?,13-,15?/m0/s1
InChIKeyMMLPRYWSGSVRRN-QRJNDHJOSA-N
Species of MetaboliteComponentSourceComments
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
ChEBI Ontology
Outgoing Relation(s)
NCGC00169093-01 (CHEBI:183934) is a eudesmane sesquiterpenoid (CHEBI:62508)
IUPAC Name 
2-[(3S)-3-hydroxy-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid
Manual XrefsDatabases
22913751ChemSpider