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CHEBI:199894 - Quinofuracin D

ChEBI IDCHEBI:199894
ChEBI NameQuinofuracin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H28O13
Net Charge0
Average Mass548.497
Monoisotopic Mass548.15299
SMILESCC(=O)CCC[C@H](O[C@@H]1O[C@@H]([C@H](O)CO)[C@H](O)[C@H]1O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O
InChIInChI=1S/C26H28O13/c1-9(28)3-2-4-16(38-26-24(37)23(36)25(39-26)15(32)8-27)19-14(31)7-12-18(22(19)35)21(34)17-11(20(12)33)5-10(29)6-13(17)30/h5-7,15-16,23-27,29-32,35-37H,2-4,8H2,1H3/t15-,16+,23-,24-,25+,26-/m1/s1
InChIKeyAWPZQTIGVJBSTI-HQUGCNLOSA-N
Species of MetaboliteComponentSourceComments
Staphylotrichum (ncbitaxon:370954) - PubMed (25611347)
ChEBI Ontology
Outgoing Relation(s)
Quinofuracin D (CHEBI:199894) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
2-[(1S)-1-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-5-oxohexyl]-1,3,6,8-tetrahydroxyanthracene-9,10-dione
Manual XrefsDatabases
58988946ChemSpider