KEGG   DRUG: Dimecrotic acid
Entry
D07846                      Drug                                   
Name
Dimecrotic acid (INN);
Molnia (TN)
Formula
C12H14O4
Exact mass
222.0892
Mol weight
222.2372
Structure
Remark
Chemical structure group: DG02940
Efficacy
Choleretic
Other DBs
CAS: 7706-67-4
PubChem: 96024543
LigandBox: D07846
NIKKAJI: J8.964H
LinkDB
KCF data

ATOM        16
            1   C8x C    18.6900  -16.7300
            2   C8y C    18.6900  -18.1300
            3   C8x C    19.9024  -18.8300
            4   C8y C    21.1149  -18.1300
            5   C8y C    21.1149  -16.7300
            6   C8x C    19.9024  -16.0300
            7   O2a O    17.4776  -18.8300
            8   C1a C    16.2821  -18.1396
            9   O2a O    22.3460  -18.8410
            10  C1a C    23.5512  -18.1453
            11  C2c C    22.3460  -16.0190
            12  C2b C    23.5512  -16.7147
            13  C1a C    22.3457  -14.6301
            14  C6a C    24.7335  -16.0319
            15  O6a O    25.9275  -16.7212
            16  O6a O    24.7335  -14.6302
BOND        16
            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     2   7 1
            8     7   8 1
            9     4   9 1
            10    9  10 1
            11    5  11 1
            12   11  12 2
            13   11  13 1
            14   12  14 1
            15   14  15 1
            16   14  16 2

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