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CHEBI:227883 - Saccharothriolide E

ChEBI IDCHEBI:227883
ChEBI NameSaccharothriolide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H31NO7
Net Charge0
Average Mass457.523
Monoisotopic Mass457.21005
SMILESC[C@@H]1[C@@H](Nc2ccccc2O)[C@@H](C)C(=O)[C@@H](C)[C@@H](O)[C@H](C)C(=O)O[C@@H]1c1cc(O)cc(O)c1
InChIInChI=1S/C25H31NO7/c1-12-21(26-19-7-5-6-8-20(19)29)13(2)24(16-9-17(27)11-18(28)10-16)33-25(32)15(4)23(31)14(3)22(12)30/h5-15,21,23-24,26-29,31H,1-4H3/t12-,13-,14-,15+,21+,23-,24+/m1/s1
InChIKeyPUFJWNRDGMBDGV-IELUSNEISA-N
Species of MetaboliteComponentSourceComments
Saccharothrix (ncbitaxon:2071) - PubMed (27332142)
ChEBI Ontology
Outgoing Relation(s)
Saccharothriolide E (CHEBI:227883) is a resorcinols (CHEBI:33572)
IUPAC Name 
(3S,4R,5S,7R,8R,9R,10S)-10-(3,5-dihydroxyphenyl)-4-hydroxy-8-(2-hydroxyanilino)-3,5,7,9-tetramethyloxecane-2,6-dione
Manual XrefsDatabases
76776694ChemSpider