Soudanone B (CHEBI:218004)

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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	Soudanone B

ChEBI ID	CHEBI:218004

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H22O6

Net Charge

Average Mass

322.357

Monoisotopic Mass

322.14164

InChI

InChI=1S/C17H22O6/c1-10-12-8-11(6-4-2-3-5-7-15(20)21)23-17(22)16(12)14(19)9-13(10)18/h9,11,18-19H,2-8H2,1H3,(H,20,21)/t11-/m1/s1

InChIKey

SIHRNXQQXCSLEU-LLVKDONJSA-N

SMILES

O=C1O[C@@H](CC=2C1=C(O)C=C(O)C2C)CCCCCCC(=O)O

Metabolite of Species	Details
Cadophora (NCBI:txid210567)	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	Soudanone B (CHEBI:218004) is a hydroxybenzoic acid (CHEBI:24676)

IUPAC Name

7-[(3R)-6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl]heptanoic acid