EI-2128-1 (CHEBI:204358)

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CHEBI:204358 - EI-2128-1

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ChEBI ID	CHEBI:204358
ChEBI Name	EI-2128-1
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H35NO6
Net Charge	0
Average Mass	421.534
Monoisotopic Mass	421.24644
SMILES	CCCCCCC(C)CC(C)/C=C/C(=O)N[C@H]1CC2(O[C@H]1O)[C@@H]1O[C@@H]1C(=O)[C@@H]1O[C@@H]12
InChI	InChI=1S/C23H35NO6/c1-4-5-6-7-8-13(2)11-14(3)9-10-16(25)24-15-12-23(30-22(15)27)20-18(28-20)17(26)19-21(23)29-19/h9-10,13-15,18-22,27H,4-8,11-12H2,1-3H3,(H,24,25)/b10-9+/t13?,14?,15-,18-,19+,20-,21+,22+,23?/m0/s1
InChIKey	VUFZKMYXIBBYJI-XZFFCROKSA-N

Species of Metabolite	Component	Source	Comments
Penicillium (ncbitaxon:5073)	-	PubMed (14763553)

ChEBI Ontology

Outgoing Relation(s)
	EI-2128-1 (CHEBI:204358) is a oxacycle (CHEBI:38104)

IUPAC Name
(E)-N-[(1S,2'R,3R,3'S,5S,7R)-2'-hydroxy-6-oxospiro[4,8-dioxatricyclo[5.1.0.03,5]octane-2,5'-oxolane]-3'-yl]-4,6-dimethyldodec-2-enamide

Manual Xrefs	Databases
9514137	ChemSpider