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CHEBI:201686 - 17-Hydroxy-18-dehydroneogrifolin

Default Structure
ChEBI IDCHEBI:201686
ChEBI Name17-Hydroxy-18-dehydroneogrifolin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O3
Net Charge0
Average Mass344.495
Monoisotopic Mass344.23514
SMILESC=C(C)[C@@H](O)CCC(C)=CCCC(C)=CCc1c(C)cc(O)cc1O
InChIInChI=1S/C22H32O3/c1-15(2)21(24)12-10-17(4)8-6-7-16(3)9-11-20-18(5)13-19(23)14-22(20)25/h8-9,13-14,21,23-25H,1,6-7,10-12H2,2-5H3/t21-/m0/s1
InChIKeyJJBWTWMPOYVCGQ-NRFANRHFSA-N
ChEBI Ontology
Outgoing Relation(s)
17-Hydroxy-18-dehydroneogrifolin (CHEBI:201686) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
4-[(2E,6E,10S)-10-hydroxy-3,7,11-trimethyldodeca-2,6,11-trienyl]-5-methylbenzene-1,3-diol
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