Sterenin A (CHEBI:201041)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Sterenin A

ChEBI ID	CHEBI:201041

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C23H25NO7

Net Charge

Average Mass

427.453

Monoisotopic Mass

427.16310

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

SMILES

O=C1N(CC2=C1C=C(OC(=O)C3=C(O)C=C(O)C=C3C)C(=C2O)CC=C(C)C)CCO

Metabolite of Species	Details
Stereum (NCBI:txid5644)	See: PubMed

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	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