CHEBI:202614 - Quinofuracin A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Quinofuracin A
ChEBI ID CHEBI:202614
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H30O12
Net Charge 0
Average Mass 534.514
Monoisotopic Mass 534.17373
InChI InChI=1S/C26H30O12/c1-2-3-4-5-16(37-26-24(36)23(35)25(38-26)15(31)9-27)19-14(30)8-12-18(22(19)34)21(33)17-11(20(12)32)6-10(28)7-13(17)29/h6-8,15-16,23-31,34-36H,2-5,9H2,1H3/t15-,16+,23-,24-,25+,26-/m1/s1
InChIKey UDEJSRNTKLJXPT-HQUGCNLOSA-N
SMILES O=C1C2=C(O)C(=C(O)C=C2C(=O)C=3C1=C(O)C=C(O)C3)[C@@H](O[C@@H]4O[C@@H]([C@H](O)CO)[C@@H]([C@H]4O)O)CCCCC
Metabolite of Species Details
Staphylotrichum (NCBI:txid370954) See: PubMed
ChEBI Ontology
Outgoing Quinofuracin A (CHEBI:202614) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name
2-[(1S)-1-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxyhexyl]-1,3,6,8-tetrahydroxyanthracene-9,10-dione
Manual Xref Database
58986410 ChemSpider
View more database links