KEGG   COMPOUND: C01405Help
Entry
C01405                      Compound                               

Name
Aspirin;
Acetylsalicylic acid;
2-Acetoxybenzenecarboxylic acid;
Acetylsalicylate
Formula
C9H8O4
Exact mass
180.0423
Mol weight
180.1574
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Reaction
Pathway
Bile secretion
Enzyme
Other DBs
CAS: 
50-78-2
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        13
            1   C8y C    20.2981  -15.8105
            2   C8y C    21.5226  -16.5029
            3   C8x C    19.0928  -16.5029
            4   C6a C    20.2981  -14.6927
            5   C8x C    21.5226  -17.9133
            6   O7a O    22.7278  -15.8040
            7   C8x C    19.0928  -17.9133
            8   O6a O    21.5033  -13.9940
            9   O6a O    19.0863  -14.0004
            10  C8x C    20.2981  -18.6250
            11  C7a C    23.9396  -16.4964
            12  C1a C    25.1450  -15.7977
            13  O6a O    23.9396  -17.9642
BOND        13
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 1
            11   11  12 1
            12   11  13 2
            13    7  10 2

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