KEGG   COMPOUND: C19444
Entry
C19444                      Compound                               
Name
5-Methylangelicin
Formula
C12H8O3
Exact mass
200.0473
Mol weight
200.1901
Structure
Other DBs
CAS: 73459-03-7
PubChem: 124490116
ChEBI: 82483
KCF data

ATOM        15
            1   C8y C    17.4300  -19.5300
            2   C8y C    17.4300  -20.9300
            3   C8y C    18.6424  -21.6300
            4   C8x C    19.8549  -20.9300
            5   C8y C    19.8549  -19.5300
            6   C8y C    18.6424  -18.8300
            7   O7x O    16.2176  -18.8300
            8   C8y C    15.0051  -19.5300
            9   C8x C    15.0051  -20.9300
            10  C8x C    16.2176  -21.6300
            11  O2x O    20.8953  -18.5932
            12  C8x C    20.3259  -17.3142
            13  C8x C    18.9335  -17.4606
            14  O6a O    13.7740  -18.8190
            15  C1a C    18.6424  -23.0298
BOND        17
            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     1   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 2
            11    2  10 1
            12    5  11 1
            13   11  12 1
            14   12  13 2
            15    6  13 1
            16    8  14 2
            17    3  15 1

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Chemical substance (2)   
   PubChem (1)   
   ChEBI (1)   
All databases (2)   

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