Ilicicolinal H (CHEBI:215672)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:215672 - Ilicicolinal H

Take structure to advanced search

ChEBI ID	CHEBI:215672
ChEBI Name	Ilicicolinal H
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H31ClO4
Net Charge	0
Average Mass	406.950
Monoisotopic Mass	406.19109
SMILES	CC(C)=CCC/C(C)=C/CC[C@@]1(C)Oc2c(C=O)c(C)c(Cl)c(O)c2C[C@@H]1O
InChI	InChI=1S/C23H31ClO4/c1-14(2)8-6-9-15(3)10-7-11-23(5)19(26)12-17-21(27)20(24)16(4)18(13-25)22(17)28-23/h8,10,13,19,26-27H,6-7,9,11-12H2,1-5H3/b15-10+/t19-,23+/m0/s1
InChIKey	HOTIAVDHASTISG-HHYXJYCZSA-N

Species of Metabolite	Component	Source	Comments
Neonectria (ncbitaxon:140106)	-	PubMed (29674105)

ChEBI Ontology

Outgoing Relation(s)
	Ilicicolinal H (CHEBI:215672) is a monoterpenoid (CHEBI:25409)

IUPAC Name
(2R,3S)-6-chloro-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2,7-dimethyl-3,4-dihydrochromene-8-carbaldehyde

Manual Xrefs	Databases
78443539	ChemSpider