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CHEBI:201094 - Quinofuracin B

ChEBI IDCHEBI:201094
ChEBI NameQuinofuracin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H32O13
Net Charge0
Average Mass576.551
Monoisotopic Mass576.18429
SMILESCCCCC[C@H](O[C@@H]1O[C@@H]([C@H](O)CO)[C@H](O)[C@H]1OC(C)=O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O
InChIInChI=1S/C28H32O13/c1-3-4-5-6-18(40-28-27(39-11(2)30)25(38)26(41-28)17(34)10-29)21-16(33)9-14-20(24(21)37)23(36)19-13(22(14)35)7-12(31)8-15(19)32/h7-9,17-18,25-29,31-34,37-38H,3-6,10H2,1-2H3/t17-,18+,25+,26+,27-,28-/m1/s1
InChIKeyRUWRWSMREJGOBH-YIENMFSPSA-N
Species of MetaboliteComponentSourceComments
Staphylotrichum (ncbitaxon:370954) - PubMed (25611347)
ChEBI Ontology
Outgoing Relation(s)
Quinofuracin B (CHEBI:201094) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
[(2R,3R,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-[(1S)-1-(1,3,6,8-tetrahydroxy-9,10-dioxoanthracen-2-yl)hexoxy]oxolan-3-yl] acetate
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58986514ChemSpider