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CHEBI:224122 - Quinofuracin E

ChEBI IDCHEBI:224122
ChEBI NameQuinofuracin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H22O12
Net Charge0
Average Mass502.428
Monoisotopic Mass502.11113
SMILESO=C1c2cc(O[C@@H]3O[C@@H]([C@H](O)CO)[C@H](O)[C@H]3O)cc(O)c2C(=O)c2c1cc1c(c2O)[C@@H]2CCO[C@@H]2O1
InChIInChI=1S/C24H22O12/c25-6-12(27)22-20(31)21(32)24(36-22)34-7-3-9-14(11(26)4-7)18(29)16-10(17(9)28)5-13-15(19(16)30)8-1-2-33-23(8)35-13/h3-5,8,12,20-27,30-32H,1-2,6H2/t8-,12+,20+,21+,22-,23+,24+/m0/s1
InChIKeyOLFHZTHTAYTUJX-RRBVTZQMSA-N
Species of MetaboliteComponentSourceComments
Staphylotrichum (ncbitaxon:370954) - PubMed (25611347)
ChEBI Ontology
Outgoing Relation(s)
Quinofuracin E (CHEBI:224122) is a anthraquinone (CHEBI:22580)
IUPAC Name 
(4S,8R)-16-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2,18-dihydroxy-7,9-dioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14(19),15,17-hexaene-13,20-dione
Manual XrefsDatabases
58989078ChemSpider