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CHEBI:227998 - (7S,9R)-andicoquinone A

ChEBI IDCHEBI:227998
ChEBI Name(7S,9R)-andicoquinone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H16O6
Net Charge0
Average Mass340.331
Monoisotopic Mass340.09469
SMILESC[C@@]1(O)Cc2cc3c(c(O)c2[C@@H](O)C1)C(=O)c1c(O)cccc1C3=O
InChIInChI=1S/C19H16O6/c1-19(25)6-8-5-10-15(17(23)13(8)12(21)7-19)18(24)14-9(16(10)22)3-2-4-11(14)20/h2-5,12,20-21,23,25H,6-7H2,1H3/t12-,19+/m0/s1
InChIKeyQKDSQIKJNPITDZ-HXPMCKFVSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/j.phytol.2019.01.031)
ChEBI Ontology
Outgoing Relation(s)
(7S,9R)-andicoquinone A (CHEBI:227998) is a quinone (CHEBI:36141)
(7S,9R)-andicoquinone A (CHEBI:227998) is a tetracenes (CHEBI:51270)
IUPAC Name 
(7S,9R)-4,6,7,9-tetrahydroxy-9-methyl-8,10-dihydro-7H-tetracene-5,12-dione
Manual XrefsDatabases
71360635ChemSpider