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CHEBI:200697 - Paeciloquinone B

ChEBI IDCHEBI:200697
ChEBI NamePaeciloquinone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H16O9
Net Charge0
Average Mass400.339
Monoisotopic Mass400.07943
SMILESCC(=O)CC[C@@H](C(=O)O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O
InChIInChI=1S/C20H16O9/c1-7(21)2-3-9(20(28)29)14-13(24)6-11-16(18(14)26)19(27)15-10(17(11)25)4-8(22)5-12(15)23/h4-6,9,22-24,26H,2-3H2,1H3,(H,28,29)/t9-/m1/s1
InChIKeyHTBJCSXYMPBHJQ-SECBINFHSA-N
Species of MetaboliteComponentSourceComments
Paecilomyces (ncbitaxon:33202) - PubMed (7730151)
ChEBI Ontology
Outgoing Relation(s)
Paeciloquinone B (CHEBI:200697) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
5-oxo-2-(1,3,6,8-tetrahydroxy-9,10-dioxoanthracen-2-yl)hexanoic acid
Manual XrefsDatabases
8606519ChemSpider