KEGG   COMPOUND: C09313
Entry
C09313                      Compound                               
Name
5,6,7-Trimethoxycoumarin
Formula
C12H12O5
Exact mass
236.0685
Mol weight
236.2207
Structure
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Coumarins
   Coumarins
    C09313  5,6,7-Trimethoxycoumarin
Other DBs
CAS: 55085-47-7
PubChem: 11504
ChEBI: 28126
KNApSAcK: C00002501
3DMET: B02853
NIKKAJI: J672.787E
LinkDB
KCF data

ATOM        17
            1   C8y C    28.9902  -18.3466
            2   C8y C    27.7906  -17.6477
            3   C8y C    28.9844  -19.7442
            4   C8x C    30.2073  -17.6535
            5   C8y C    26.5735  -18.3466
            6   O2a O    27.7906  -16.2442
            7   C8x C    27.7906  -20.4488
            8   O7x O    30.1956  -20.4547
            9   C8x C    31.4187  -18.3523
            10  C8y C    26.5735  -19.7442
            11  O2a O    25.3622  -17.6477
            12  C1a C    29.0018  -15.5453
            13  C8y C    31.4128  -19.7559
            14  O2a O    25.3622  -20.4488
            15  C1a C    24.1451  -18.3407
            16  O6a O    32.6242  -20.4605
            17  C1a C    24.1451  -19.7442
BOND        18
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    5  11 1
            11    6  12 1
            12    8  13 1
            13   10  14 1
            14   11  15 1
            15   13  16 2
            16   14  17 1
            17    7  10 2
            18    9  13 1

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