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CHEBI:225453 - Thiocarboxylic A

ChEBI IDCHEBI:225453
ChEBI NameThiocarboxylic A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H20O4S
Net Charge0
Average Mass332.421
Monoisotopic Mass332.10823
SMILESCC/C=C/C=C/[C@@]1(C)OC(c2ccsc2C)=C(C(=O)OC)C1=O
InChIInChI=1S/C18H20O4S/c1-5-6-7-8-10-18(3)16(19)14(17(20)21-4)15(22-18)13-9-11-23-12(13)2/h6-11H,5H2,1-4H3/b7-6+,10-8+/t18-/m1/s1
InChIKeyOUXQSAGFTSTBPC-PUJSCKPQSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (33314934)
ChEBI Ontology
Outgoing Relation(s)
Thiocarboxylic A (CHEBI:225453) is a oxolanes (CHEBI:26912)
IUPAC Name 
methyl (5R)-5-[(1E,3E)-hexa-1,3-dienyl]-5-methyl-2-(2-methylthiophen-3-yl)-4-oxouran-3-carboxylate