KEGG   DRUG: 1,3,5-Trimethoxybenzene
Entry
D01792                      Drug                                   
Name
1,3,5-Trimethoxybenzene (JAN)
Formula
C9H12O3
Exact mass
168.0786
Mol weight
168.1898
Structure
Efficacy
Pharmaceutic aid
Other DBs
CAS: 621-23-8
PubChem: 7848854
ChEBI: 31038
LigandBox: D01792
NIKKAJI: J6.831D
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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Drug (1)   
   LigandBox (1)   
Chemical substance (5)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   KNApSAcK (1)   
   NIKKAJI (1)   
All databases (6)   

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