CJ-17,572 (CHEBI:200957)

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CHEBI:200957 - CJ-17,572

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ChEBI ID	CHEBI:200957
ChEBI Name	CJ-17,572
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Submitter	MetaboLights
Downloads	Molfile

Formula	C21H31NO4
Net Charge	0
Average Mass	361.482
Monoisotopic Mass	361.22531
SMILES	CC1CCC2C(C=CC(C)C2(C)C(O)=C2C(=O)C(C(C)O)N(C)C2=O)C1
InChI	InChI=1S/C21H31NO4/c1-11-6-9-15-14(10-11)8-7-12(2)21(15,4)19(25)16-18(24)17(13(3)23)22(5)20(16)26/h7-8,11-15,17,23,25H,6,9-10H2,1-5H3
InChIKey	LVWQDHHIWXPCLH-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Pezicula (ncbitaxon:101853)	-	PubMed (11918060)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	CJ-17,572 (CHEBI:200957) is a N-alkylpyrrolidine (CHEBI:46775)

IUPAC Name
5-(1-hydroxyethyl)-3-[hydroxy-(1,2,6-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)methylidene]-1-methylpyrrolidine-2,4-dione

Manual Xrefs	Databases
78443967	ChemSpider