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CHEBI:198701 - Austrocortirubin

ChEBI IDCHEBI:198701
ChEBI NameAustrocortirubin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O7
Net Charge0
Average Mass320.297
Monoisotopic Mass320.08960
SMILESCOc1cc(O)c2c(c1O)C(=O)C1=C(C2=O)[C@@H](O)C[C@@](C)(O)C1
InChIInChI=1S/C16H16O7/c1-16(22)4-6-10(8(18)5-16)15(21)11-7(17)3-9(23-2)14(20)12(11)13(6)19/h3,8,17-18,20,22H,4-5H2,1-2H3/t8-,16-/m0/s1
InChIKeyDGBJOTSGQUQQJO-PWJLMRLQSA-N
Species of MetaboliteComponentSourceComments
Cortinariusspecies (ncbitaxon:1745193) - DOI (10.1016/s0040-4039(00)98845-2)
ChEBI Ontology
Outgoing Relation(s)
Austrocortirubin (CHEBI:198701) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
(1S,3S)-1,3,5,8-tetrahydroxy-6-methoxy-3-methyl-2,4-dihydro-1H-anthracene-9,10-dione
Manual XrefsDatabases
78440022ChemSpider