KEGG   COMPOUND: C10765
Entry
C10765                      Compound                               
Name
Antiarol;
3,4,5-Trimethoxyphenol
Formula
C9H12O4
Exact mass
184.0736
Mol weight
184.1892
Structure
Other DBs
CAS: 642-71-7
PubChem: 12948
ChEBI: 2760
KNApSAcK: C00002637
3DMET: B04115
NIKKAJI: J107.381H
KCF data

ATOM        13
            1   C8y C    26.7926  -19.9021
            2   C8y C    28.0103  -20.5972
            3   C8y C    29.2200  -19.8832
            4   C8x C    29.2085  -18.4872
            5   C8y C    27.9909  -17.7990
            6   C8x C    26.7845  -18.4999
            7   O2a O    30.4385  -20.5767
            8   O2a O    28.0204  -21.9966
            9   C1a C    26.8125  -22.7017
            10  O2a O    25.5839  -20.6128
            11  O1a O    27.9824  -16.3996
            12  C1a C    24.3260  -19.9004
            13  C1a C    31.6537  -19.8651
BOND        13
            1     3   7 1
            2     1   2 2
            3     2   3 1
            4     2   8 1
            5     3   4 2
            6     8   9 1
            7     4   5 1
            8     1  10 1
            9     5   6 2
            10    6   1 1
            11    5  11 1
            12   10  12 1
            13    7  13 1

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