KEGG   COMPOUND: C04711
Entry
C04711                      Compound                               

Name
5-(3-Hydroxy-4-acetoxybut-1-ynyl)-2,2'-bithiophene
Formula
C14H12O3S2
Exact mass
292.0228
Mol weight
292.3733
Structure
Reaction
Enzyme
Other DBs
PubChem: 7283
ChEBI: 17229
NIKKAJI: J410.281I
KCF data

ATOM        19
            1   C8y C    31.7529  -11.5068
            2   C3b C    30.6232  -10.8517
            3   C3b C    29.4936  -10.1967
            4   C1c C    28.3578   -9.5357
            5   C1b C    27.2341  -10.1907
            6   O1a O    28.3578   -8.2317
            7   O7a O    26.0985   -9.5418
            8   C7a C    24.9687  -10.1907
            9   O6a O    24.9748  -11.5007
            10  C1a C    23.8391   -9.5357
            11  C8x C    31.8067  -12.8797
            12  C8x C    33.1312  -13.2518
            13  C8y C    33.8944  -12.1071
            14  S2x S    33.0416  -11.0276
            15  C8y C    35.2944  -12.1071
            16  S2x S    36.1136  -13.2348
            17  C8x C    37.4392  -12.8041
            18  C8x C    37.4393  -11.4103
            19  C8x C    36.1137  -10.9796
BOND        20
            1     1   2 1
            2     2   3 3
            3     3   4 1
            4     4   5 1
            5     4   6 1
            6     5   7 1
            7     7   8 1
            8     8   9 2
            9     8  10 1
            10    1  11 2
            11   11  12 1
            12   12  13 2
            13   13  14 1
            14    1  14 1
            15   13  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   15  19 2

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