KEGG   COMPOUND: C12346
Entry
C12346                      Compound                               
Name
1,3-Dimethyl-8-isoquinolinol
Formula
C11H11NO
Exact mass
173.0841
Mol weight
173.2111
Structure
Other DBs
PubChem: 582736
ChEBI: 31040
NIKKAJI: J2.781.926E
KCF data

ATOM        13
            1   C8x C    24.9716  -18.1547
            2   C8x C    24.9716  -19.5552
            3   C8y C    26.1874  -20.2555
            4   C8x C    26.1874  -17.4545
            5   C8y C    27.3961  -18.1547
            6   C8y C    27.3902  -19.5552
            7   C8y C    28.6001  -20.2608
            8   N5x N    29.8159  -19.5656
            9   C8y C    29.8220  -18.1651
            10  C8x C    28.6121  -17.4597
            11  O1a O    26.1908  -21.6560
            12  C1a C    28.6641  -21.6613
            13  C1a C    31.0378  -17.4701
BOND        14
            1     3   6 2
            2     5   4 2
            3     4   1 1
            4     5   6 1
            5     6   7 1
            6     7   8 2
            7     8   9 1
            8     9  10 2
            9    10   5 1
            10    3  11 1
            11    1   2 2
            12    7  12 1
            13    2   3 1
            14    9  13 1

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  All links  
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
All databases (3)   

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