Methiosetin (CHEBI:219498)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:219498 - Methiosetin

Take structure to advanced search

ChEBI ID	CHEBI:219498
ChEBI Name	Methiosetin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C19H27NO4
Net Charge	0
Average Mass	333.428
Monoisotopic Mass	333.19401
SMILES	CC(O)C1C(=O)C(=C(O)[C@H]2[C@@H]3CCCC[C@H]3C=C[C@H]2C)C(=O)N1C
InChI	InChI=1S/C19H27NO4/c1-10-8-9-12-6-4-5-7-13(12)14(10)17(22)15-18(23)16(11(2)21)20(3)19(15)24/h8-14,16,21-22H,4-7H2,1-3H3/t10-,11?,12+,13-,14-,16?/m1/s1
InChIKey	ACUUAFHILDALFB-ABNNWSSOSA-N

Species of Metabolite	Component	Source	Comments
Capnodiumspecies (ncbitaxon:1950115)	-	PubMed (22288374)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Methiosetin (CHEBI:219498) is a N-alkylpyrrolidine (CHEBI:46775)

IUPAC Name
3-[[(1R,2R,4aS,8aR)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-hydroxymethylidene]-5-(1-hydroxyethyl)-1-methylpyrrolidine-2,4-dione

Manual Xrefs	Databases
78440400	ChemSpider