EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:215615 - Ilicicolinal I

ChEBI IDCHEBI:215615
ChEBI NameIlicicolinal I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H34O5
Net Charge0
Average Mass390.520
Monoisotopic Mass390.24062
SMILESC/C(=C\CC[C@@]1(C)Oc2c(C=O)c(C)cc(O)c2C[C@@H]1O)CCCC(C)(C)O
InChIInChI=1S/C23H34O5/c1-15(8-6-10-22(3,4)27)9-7-11-23(5)20(26)13-17-19(25)12-16(2)18(14-24)21(17)28-23/h9,12,14,20,25-27H,6-8,10-11,13H2,1-5H3/b15-9+/t20-,23+/m0/s1
InChIKeyXNGJIAMDQGOCBU-LZIIHNADSA-N
Species of MetaboliteComponentSourceComments
Neonectria (ncbitaxon:140106) - PubMed (29674105)
ChEBI Ontology
Outgoing Relation(s)
Ilicicolinal I (CHEBI:215615) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(2R,3S)-3,5-dihydroxy-2-[(E)-8-hydroxy-4,8-dimethylnon-3-enyl]-2,7-dimethyl-3,4-dihydrochromene-8-carbaldehyde
Manual XrefsDatabases
78443532ChemSpider