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CHEBI:212863 - Astropaquinone B

Default Structure
ChEBI IDCHEBI:212863
ChEBI NameAstropaquinone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H18O6
Net Charge0
Average Mass318.325
Monoisotopic Mass318.11034
SMILESCOc1cc(OC)c2c(c1)C(=O)C1=C(C2=O)[C@H](OC)O[C@@H](C)C1
InChIInChI=1S/C17H18O6/c1-8-5-10-14(17(22-4)23-8)16(19)13-11(15(10)18)6-9(20-2)7-12(13)21-3/h6-8,17H,5H2,1-4H3/t8-,17+/m0/s1
InChIKeyZUCKMONTTODKPQ-WNWIJWBNSA-N
Species of MetaboliteComponentSourceComments
Astrosphaeriella (ncbitaxon:682060) - PubMed (19431097)
Roles Classification
Biological Role:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
Astropaquinone B (CHEBI:212863) is a benzoisochromanequinone (CHEBI:48129)
IUPAC Name 
(1R,3S)-1,7,9-trimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione
Manual XrefsDatabases
28287847ChemSpider