| | DRUG: 1,3,5-Trimethoxybenzene | |
Entry |
|
Name |
1,3,5-Trimethoxybenzene (JAN) |
Formula |
C9H12O3
|
Exact mass |
168.0786
|
Mol weight |
168.1898
|
Structure |
|
Efficacy |
Pharmaceutic aid |
Other DBs |
|
KCF data |
ATOM 12
1 C8y C 29.8200 -16.3800
2 C8x C 29.8200 -17.7800
3 C8y C 31.0800 -18.4800
4 C8x C 32.2700 -17.7800
5 C8y C 32.2700 -16.3800
6 C8x C 31.0800 -15.6800
7 O2a O 33.4600 -15.6800
8 C1a C 34.7200 -16.3800
9 O2a O 31.0800 -19.8800
10 C1a C 29.8200 -20.5800
11 O2a O 28.6300 -15.6800
12 C1a C 28.6300 -14.2800
BOND 12
1 6 1 1
2 5 7 1
3 1 2 2
4 7 8 1
5 2 3 1
6 3 9 1
7 3 4 2
8 9 10 1
9 4 5 1
10 1 11 1
11 5 6 2
12 11 12 1
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