Astropaquinone C (CHEBI:199714)

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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	Astropaquinone C

ChEBI ID	CHEBI:199714

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H16O6

Net Charge

Average Mass

304.298

Monoisotopic Mass

304.09469

InChI

InChI=1S/C16H16O6/c1-7-4-9-13(16(19)22-7)15(18)12-10(14(9)17)5-8(20-2)6-11(12)21-3/h5-7,16,19H,4H2,1-3H3/t7-,16+/m0/s1

InChIKey

PJDRPXKBIRDAFE-HYORBCNSSA-N

SMILES

O=C1C2=C(OC)C=C(OC)C=C2C(=O)C3=C1[C@@H](O[C@H](C3)C)O

Metabolite of Species	Details
Astrosphaeriella (NCBI:txid682060)	See: PubMed

Roles Classification
Biological Role(s):	antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. (via heterocyclic antibiotic )

ChEBI Ontology
Outgoing	Astropaquinone C (CHEBI:199714) is a benzoisochromanequinone (CHEBI:48129)

IUPAC Name

(1R,3S)-1-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione