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CHEBI:222881 - Biruloquinone

ChEBI IDCHEBI:222881
ChEBI NameBiruloquinone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H10O7
Net Charge0
Average Mass326.260
Monoisotopic Mass326.04265
SMILESCOc1cc2oc(=O)c3c(C)cc(O)c4c(=O)c(=O)c(c1O)c2c34
InChIInChI=1S/C17H10O7/c1-5-3-6(18)10-12-9(5)17(22)24-7-4-8(23-2)14(19)13(11(7)12)16(21)15(10)20/h3-4,18-19H,1-2H3
InChIKeyCCUJPSDKAUVKIU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cladonia macilenta (ncbitaxon:196765) - PubMed (23412057)
Roles Classification
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
ChEBI Ontology
Outgoing Relation(s)
Biruloquinone (CHEBI:222881) is a phenanthrol (CHEBI:25962)
IUPAC Name 
7,12-dihydroxy-13-methoxy-5-methyl-2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,9,10-trione
Manual XrefsDatabases
4589978ChemSpider