KEGG   COMPOUND: C14799
Entry
C14799                      Compound                               
Name
(1R,2R)-3-[(1,2-Dihydro-2-hydroxy-1-naphthalenyl)thio]-2-oxopropanoic acid
Formula
C13H12O4S
Exact mass
264.0456
Mol weight
264.30
Structure
Reaction
R07007
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
Other DBs
PubChem: 17395797
ChEBI: 33997
NIKKAJI: J2.789.421F
LinkDB
KCF data

ATOM        18
            1   C8x C    22.1009  -19.3770
            2   C8x C    22.1009  -20.7897
            3   C8x C    23.3018  -21.4962
            4   C8y C    24.5733  -20.7897
            5   C8y C    24.5733  -19.3770
            6   C8x C    23.3018  -18.6706
            7   C2x C    25.7742  -21.4962
            8   C2x C    26.9751  -20.7897
            9   C1y C    26.9751  -19.3770
            10  C1y C    25.7742  -18.6706
            11  S2a S    25.7742  -17.2591
            12  O1a O    28.1759  -18.6706
            13  C5a C    26.9751  -15.1399
            14  C6a C    25.7035  -14.5042
            15  O5a O    28.1759  -14.4336
            16  C1b C    26.9751  -16.5527
            17  O6a O    25.7042  -13.0914
            18  O6a O    24.5027  -15.2106
BOND        19
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12   10  11 1 #Up
            13    9  12 1 #Down
            14   13  14 1
            15   13  15 2
            16   13  16 1
            17   14  17 2
            18   14  18 1
            19   16  11 1

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