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CHEBI:215641 - Ilicicolinal C

ChEBI IDCHEBI:215641
ChEBI NameIlicicolinal C
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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-IZMCBINASA-N
Species of MetaboliteComponentSourceComments
Neonectria (ncbitaxon:140106) - PubMed (29674105)
ChEBI Ontology
Outgoing Relation(s)
Ilicicolinal C (CHEBI:215641) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
5-chloro-2,4-dihydroxy-3-[[(1S,2S,5S)-2-hydroxy-2-methyl-5-[(2E)-6-methylhepta-2,5-dien-2-yl]cyclopentyl]methyl]-6-methylbenzaldehyde
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78443534ChemSpider