KEGG   COMPOUND: C13720
Entry
C13720                      Compound                               
Name
alpha-EMTBL;
alpha-Ethyl-alpha-methyl-thiobutyrolactone
Formula
C7H12OS
Exact mass
144.0609
Mol weight
144.2346
Structure
Other DBs
CAS: 103620-92-4
PubChem: 586309
ChEBI: 35058
NIKKAJI: J345.137B
LinkDB
KCF data

ATOM        9
            1   C1x C    27.6904  -21.3677
            2   C1z C    28.1259  -20.0374
            3   C5x C    26.9907  -19.2118
            4   S2x S    25.8554  -20.0374
            5   C1x C    26.2909  -21.3677
            6   C1b C    28.8142  -18.8160
            7   C1a C    30.2137  -18.8479
            8   O5x O    26.9907  -17.8124
            9   C1a C    29.1110  -21.0213
BOND        9
            1     4   5 1
            2     5   1 1
            3     2   6 1
            4     1   2 1
            5     6   7 1
            6     2   3 1
            7     3   8 2
            8     3   4 1
            9     2   9 1

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