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CHEBI:208859 - Pleurothiazole

ChEBI IDCHEBI:208859
ChEBI NamePleurothiazole
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H25NO4S
Net Charge0
Average Mass399.512
Monoisotopic Mass399.15043
SMILESC[C@@H]1CO[C@@H]2c3c(O)cc4scnc4c3C[C@H]3[C@H](C(=O)O)CC[C@H]4[C@@H]1CC[C@@]243
InChIInChI=1S/C22H25NO4S/c1-10-8-27-20-18-13(19-17(7-16(18)24)28-9-23-19)6-15-12(21(25)26)2-3-14-11(10)4-5-22(14,15)20/h7,9-12,14-15,20,24H,2-6,8H2,1H3,(H,25,26)/t10-,11-,12-,14+,15+,20-,22-/m1/s1
InChIKeyVUPURRJSLQKYJL-POJXQBLJSA-N
Species of MetaboliteComponentSourceComments
Hohenbuehelia grisea (ncbitaxon:104357) - PubMed (29356520)
ChEBI Ontology
Outgoing Relation(s)
Pleurothiazole (CHEBI:208859) is a anthracenes (CHEBI:46955)
IUPAC Name 
(2S,5S,6S,9R,10S,13R,14S)-23-hydroxy-5-methyl-3-oxa-20-thia-18-azahexacyclo[14.7.0.02,9.06,10.09,14.017,21]tricosa-1(16),17(21),18,22-tetraene-13-carboxylic acid
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78439040ChemSpider