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CHEBI:225463 - Thiocarboxylic C1

ChEBI IDCHEBI:225463
ChEBI NameThiocarboxylic C1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H20O5S
Net Charge0
Average Mass348.420
Monoisotopic Mass348.10314
SMILESCOC(=O)C1=C(c2ccsc2C)O[C@](C)(/C=C/C=C/[C@@H](C)O)C1=O
InChIInChI=1S/C18H20O5S/c1-11(19)7-5-6-9-18(3)16(20)14(17(21)22-4)15(23-18)13-8-10-24-12(13)2/h5-11,19H,1-4H3/b7-5+,9-6+/t11-,18-/m1/s1
InChIKeyZQQAGLDUCINCOJ-WHCIWBQMSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (33314934)
ChEBI Ontology
Outgoing Relation(s)
Thiocarboxylic C1 (CHEBI:225463) is a oxolanes (CHEBI:26912)
IUPAC Name 
methyl (5R)-5-[(1E,3E,5R)-5-hydroxyhexa-1,3-dienyl]-5-methyl-2-(2-methylthiophen-3-yl)-4-oxouran-3-carboxylate