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CHEBI:191701 - 3-Hydroxyneogrifolin

ChEBI IDCHEBI:191701
ChEBI Name3-Hydroxyneogrifolin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O3
Net Charge0
Average Mass344.495
Monoisotopic Mass344.23514
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(C)cc(O)c(O)c1O
InChIInChI=1S/C22H32O3/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-19-18(5)14-20(23)22(25)21(19)24/h8,10,12,14,23-25H,6-7,9,11,13H2,1-5H3/b16-10+,17-12+
InChIKeyBACDZNLMIXNCOG-JTCWOHKRSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
3-Hydroxyneogrifolin (CHEBI:191701) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
5-methyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene-1,2,3-triol
Manual XrefsDatabases
HMDB0039885HMDB
4476903ChemSpider