Aranochlor A (CHEBI:218473)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:218473 - Aranochlor A

Take structure to advanced search

ChEBI ID	CHEBI:218473
ChEBI Name	Aranochlor A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H32ClNO5
Net Charge	0
Average Mass	437.964
Monoisotopic Mass	437.19690
SMILES	CCCCCCC(C)/C=C(C)/C=C/C(=O)NC1C[C@]2(C=C(Cl)C(=O)[C@@H]3O[C@@H]32)O[C@H]1O
InChI	InChI=1S/C23H32ClNO5/c1-4-5-6-7-8-14(2)11-15(3)9-10-18(26)25-17-13-23(30-22(17)28)12-16(24)19(27)20-21(23)29-20/h9-12,14,17,20-22,28H,4-8,13H2,1-3H3,(H,25,26)/b10-9+,15-11+/t14?,17?,20-,21-,22+,23-/m0/s1
InChIKey	JXZMSDXQKQMWKD-UYTIHBCGSA-N

Species of Metabolite	Component	Source	Comments
Gymnascella dankaliensis (ncbitaxon:166389)	-	PubMed (9630868)

ChEBI Ontology

Outgoing Relation(s)
	Aranochlor A (CHEBI:218473) is a cyclohexenones (CHEBI:48953)

IUPAC Name
(2E,4E)-N-[(1S,2R,2'R,6R)-4-chloro-2'-hydroxy-5-oxospiro[7-oxabicyclo[4.1.0]hept-3-ene-2,5'-oxolane]-3'-yl]-4,6-dimethyldodeca-2,4-dienamide

Manual Xrefs	Databases
8988200	ChemSpider