Sterenin C (CHEBI:210890)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:210890 - Sterenin C

Take structure to advanced search

ChEBI ID	CHEBI:210890
ChEBI Name	Sterenin C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C21H21NO6
Net Charge	0
Average Mass	383.400
Monoisotopic Mass	383.13689
SMILES	CC(C)=CCc1c(OC(=O)c2c(C)cc(O)cc2O)cc2c(c1O)CNC2=O
InChI	InChI=1S/C21H21NO6/c1-10(2)4-5-13-17(8-14-15(19(13)25)9-22-20(14)26)28-21(27)18-11(3)6-12(23)7-16(18)24/h4,6-8,23-25H,5,9H2,1-3H3,(H,22,26)
InChIKey	QMRGXHZXANRETB-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Stereum (ncbitaxon:5644)	-	PubMed (18503190)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Sterenin C (CHEBI:210890) is a hydroxybenzoic acid (CHEBI:24676)

IUPAC Name
[7-hydroxy-6-(3-methylbut-2-enyl)-3-oxo-1,2-dihydroisoindol-5-yl] 2,4-dihydroxy-6-methylbenzoate

Manual Xrefs	Databases
78434981	ChemSpider