KEGG   DRUG: Cinoxate
Entry
D03512                      Drug                                   
Name
Cinoxate (USAN/INN)
Formula
C14H18O4
Exact mass
250.1205
Mol weight
250.29
Structure
Simcomp
Efficacy
Ultraviolet screen
Comment
cinnamic acid derivative
Other DBs
CAS: 104-28-9
PubChem: 17397646
LigandBox: D03512
NIKKAJI: J5.028H
LinkDB
KCF data

ATOM        18
            1   C8x C    10.7100  -17.1500
            2   C8y C    10.7100  -18.5500
            3   C8x C    11.9224  -19.2500
            4   C8x C    13.1349  -18.5500
            5   C8y C    13.1349  -17.1500
            6   C8x C    11.9224  -16.4500
            7   O2a O     9.4976  -19.2500
            8   C1a C     8.3021  -18.5596
            9   C2b C    14.3660  -16.4390
            10  C2b C    15.5712  -17.1347
            11  C7a C    16.7535  -16.4519
            12  O7a O    17.9475  -17.1412
            13  O6a O    16.7535  -15.0502
            14  C1b C    19.1354  -16.4552
            15  C1b C    20.3265  -17.1429
            16  O2a O    21.5159  -16.4561
            17  C1b C    22.7062  -17.1434
            18  C1a C    23.8961  -16.4563
BOND        18
            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     5   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 1
            13   11  13 2
            14   12  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1

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