EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:215628 - Ilicicolinol

ChEBI IDCHEBI:215628
ChEBI NameIlicicolinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H35ClO4
Net Charge0
Average Mass398.971
Monoisotopic Mass398.22239
SMILESC/C(=C\Cc1c(O)cc(C)c(Cl)c1O)CCC[C@@](C)(O)CCCC(C)(C)O
InChIInChI=1S/C22H35ClO4/c1-15(8-6-12-22(5,27)13-7-11-21(3,4)26)9-10-17-18(24)14-16(2)19(23)20(17)25/h9,14,24-27H,6-8,10-13H2,1-5H3/b15-9+/t22-/m1/s1
InChIKeyVAHLNGDYPAHVLF-YTIHOSAGSA-N
Species of MetaboliteComponentSourceComments
Neonectria (ncbitaxon:140106) - PubMed (29674105)
ChEBI Ontology
Outgoing Relation(s)
Ilicicolinol (CHEBI:215628) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
4-chloro-2-[(E)-7,11-dihydroxy-3,7,11-trimethyldodec-2-enyl]-5-methylbenzene-1,3-diol
Manual XrefsDatabases
78436085ChemSpider