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(E)-3,5-dihydroxy-6-methyl-7-(2-methyl-1,3-thiazol-4-yl)hept-6-enoic acid
SpectraBase Compound ID J2DuKd84TOh
InChI InChI=1S/C12H17NO4S/c1-7(3-9-6-18-8(2)13-9)11(15)4-10(14)5-12(16)17/h3,6,10-11,14-15H,4-5H2,1-2H3,(H,16,17)/b7-3+
InChIKey SUXRZNCKCABHKR-XVNBXDOJSA-N
Mol Weight 271.33 g/mol
Molecular Formula C12H17NO4S
Exact Mass 271.087829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JzhTzv6aGql
Name (E)-3,5-dihydroxy-6-methyl-7-(2-methyl-1,3-thiazol-4-yl)hept-6-enoic acid
Alternate Name(s) (E)-3,5-dihydroxy-6-methyl-7-(2-methyl-4-thiazolyl)-6-heptenoic acid (E)-3,5-dihydroxy-6-methyl-7-(2-methylthiazol-4-yl)hept-6-enoic acid (E)-6-methyl-7-(2-methyl-1,3-thiazol-4-yl)-3,5-bis(oxidanyl)hept-6-enoic acid
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Formula C12H17NO4S
InChI InChI=1S/C12H17NO4S/c1-7(3-9-6-18-8(2)13-9)11(15)4-10(14)5-12(16)17/h3,6,10-11,14-15H,4-5H2,1-2H3,(H,16,17)/b7-3+
InChIKey SUXRZNCKCABHKR-XVNBXDOJSA-N
Molecular Weight 271.331 g/mol
SMILES OC(CC(CC(\C(=C\c1nc(sc1)C)C)O)O)=O
SPLASH splash10-0ikd-2910000000-c4b73fa0bb4c0eaaee6d
Source of Spectrum G4-64-856-40
Wiley ID 1609082