Nigrospoxydon C (CHEBI:217988)

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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	Nigrospoxydon C

ChEBI ID	CHEBI:217988

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H14O7

Net Charge

Average Mass

294.259

Monoisotopic Mass

294.07395

InChI

InChI=1S/C14H14O7/c15-6-8-5-10(17)12(19)13(11(8)18)21-14(20)7-2-1-3-9(16)4-7/h1-5,10,12-13,15-17,19H,6H2/t10-,12+,13+/m1/s1

InChIKey

SNBAWTHXVVSPPU-WXHSDQCUSA-N

SMILES

O=C1C(=C[C@@H](O)[C@@H]([C@H]1OC(=O)C2=CC(O)=CC=C2)O)CO

Metabolite of Species	Details
Nigrospora (NCBI:txid114230)	See: PubMed

ChEBI Ontology
Outgoing	Nigrospoxydon C (CHEBI:217988) is a benzoate ester (CHEBI:36054) Nigrospoxydon C (CHEBI:217988) is a phenols (CHEBI:33853)

IUPAC Name

[(1R,5R,6S)-5,6-dihydroxy-3-(hydroxymethyl)-2-oxocyclohex-3-en-1-yl] 3-hydroxybenzoate