EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:215647 - Ilicicolinal D

ChEBI IDCHEBI:215647
ChEBI NameIlicicolinal D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H31ClO4
Net Charge0
Average Mass406.950
Monoisotopic Mass406.19109
SMILESC=C(CCC=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/h7,12,16,19,26-28H,3,6,8-11H2,1-2,4-5H3/t16-,19+,23+/m1/s1
InChIKeyMEIPUVUACMMZNC-ICPLQIHGSA-N
Species of MetaboliteComponentSourceComments
Neonectria (ncbitaxon:140106) - PubMed (29674105)
ChEBI Ontology
Outgoing Relation(s)
Ilicicolinal D (CHEBI:215647) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
5-chloro-2,4-dihydroxy-3-[[(1S,2S,5S)-2-hydroxy-2-methyl-5-(6-methylhepta-1,5-dien-2-yl)cyclopentyl]methyl]-6-methylbenzaldehyde
Manual XrefsDatabases
78443535ChemSpider