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CHEBI:208819 - 2-hydroxyl-3-pyrenocine-thiopropanoic acid

ChEBI IDCHEBI:208819
ChEBI Name2-hydroxyl-3-pyrenocine-thiopropanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O7S
Net Charge0
Average Mass330.358
Monoisotopic Mass330.07732
SMILESCOc1cc(=O)oc(C)c1C(=O)C[C@H](C)SCC(O)C(=O)O
InChIInChI=1S/C14H18O7S/c1-7(22-6-10(16)14(18)19)4-9(15)13-8(2)21-12(17)5-11(13)20-3/h5,7,10,16H,4,6H2,1-3H3,(H,18,19)/t7-,10?/m0/s1
InChIKeyCCLCLVVAVVAADP-BYDSUWOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (31470583)
ChEBI Ontology
Outgoing Relation(s)
2-hydroxyl-3-pyrenocine-thiopropanoic acid (CHEBI:208819) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
2-hydroxy-3-[(2S)-4-(4-methoxy-2-methyl-6-oxopyran-3-yl)-4-oxobutan-2-yl]sulanylpropanoic acid