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CHEBI:215653 - Ilicicolinal E

ChEBI IDCHEBI:215653
ChEBI NameIlicicolinal E
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SubmitterMetaboLights
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FormulaC23H31ClO4
Net Charge0
Average Mass406.950
Monoisotopic Mass406.19109
SMILESCC(C)=CC/C=C(/C)[C@H]1CC[C@](C)(O)[C@H]1Cc1c(O)c(Cl)c(C)c(C=O)c1O
InChIInChI=1S/C23H31ClO4/c1-13(2)7-6-8-14(3)16-9-10-23(5,28)19(16)11-17-21(26)18(12-25)15(4)20(24)22(17)27/h7-8,12,16,19,26-28H,6,9-11H2,1-5H3/b14-8-/t16-,19+,23+/m1/s1
InChIKeyQIUWFFMCYFLNHN-SZRBCCRDSA-N
Species of MetaboliteComponentSourceComments
Neonectria (ncbitaxon:140106) - PubMed (29674105)
ChEBI Ontology
Outgoing Relation(s)
Ilicicolinal E (CHEBI:215653) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
5-chloro-2,4-dihydroxy-3-[[(1S,2S,5S)-2-hydroxy-2-methyl-5-[(2Z)-6-methylhepta-2,5-dien-2-yl]cyclopentyl]methyl]-6-methylbenzaldehyde
Manual XrefsDatabases
78443536ChemSpider