Cyathuscavin C (CHEBI:204959)

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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	Cyathuscavin C

ChEBI ID	CHEBI:204959

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H14O9

Net Charge

Average Mass

362.290

Monoisotopic Mass

362.06378

InChI

InChI=1S/C17H14O9/c1-3-4-6-5-7-8(16(22)25-6)9-10(17(23)26-7)11(15(20)21)14(24-2)13(19)12(9)18/h3-5,17-19,23H,1-2H3,(H,20,21)/b4-3+/t17-/m0/s1

InChIKey

ZFHFTSQJDRLEMK-IDOMTICXSA-N

SMILES

O=C1OC(=CC2=C1C3=C(O)C(O)=C(OC)C(=C3[C@@H](O)O2)C(=O)O)/C=C/C

Metabolite of Species	Details
Cyathusspecies (NCBI:txid1967125)	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	Cyathuscavin C (CHEBI:204959) is a methoxybenzoic acid (CHEBI:25238)

IUPAC Name

6,9,10-trihydroxy-8-methoxy-1-oxo-3-[(E)-prop-1-enyl]-6H-pyrano[4,3-c]isochromene-7-carboxylic acid