Ilicicolinal B (CHEBI:215634)

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CHEBI:215634 - Ilicicolinal B

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ChEBI ID	CHEBI:215634
ChEBI Name	Ilicicolinal B
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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@@](C)(O)[C@H]1Cc2c(O)c(Cl)c(C)c(C=O)c2O1
InChI	InChI=1S/C23H31ClO4/c1-14(2)8-6-9-15(3)10-7-11-23(5,27)19-12-17-21(26)20(24)16(4)18(13-25)22(17)28-19/h8,10,13,19,26-27H,6-7,9,11-12H2,1-5H3/b15-10+/t19-,23-/m1/s1
InChIKey	JAXLESZZOAELTH-QEXASKOXSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	Ilicicolinal B (CHEBI:215634) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name
(2R)-5-chloro-4-hydroxy-2-[(2R,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-6-methyl-2,3-dihydro-1-benzouran-7-carbaldehyde

Manual Xrefs	Databases
78443533	ChemSpider