Sterenin A (CHEBI:201041)

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CHEBI:201041 - Sterenin A

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ChEBI ID	CHEBI:201041
ChEBI Name	Sterenin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H25NO7
Net Charge	0
Average Mass	427.453
Monoisotopic Mass	427.16310
SMILES	CC(C)=CCc1c(OC(=O)c2c(C)cc(O)cc2O)cc2c(c1O)CN(CCO)C2=O
InChI	InChI=1S/C23H25NO7/c1-12(2)4-5-15-19(31-23(30)20-13(3)8-14(26)9-18(20)27)10-16-17(21(15)28)11-24(6-7-25)22(16)29/h4,8-10,25-28H,5-7,11H2,1-3H3
InChIKey	HVNLWMCBYLOMFO-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 A (CHEBI:201041) is a hydroxybenzoic acid (CHEBI:24676)

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

Manual Xrefs	Databases
28285091	ChemSpider