KEGG   COMPOUND: C19405Help
Entry
C19405                      Compound                               

Name
4,5'-Dimethylangelicin
Formula
C13H10O3
Exact mass
214.063
Mol weight
214.2167
Structure
Mol fileKCF fileDB search
Brite
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C19405  4,5'-Dimethylangelicin (plus ultraviolet A radiation)
BRITE hierarchy
Other DBs
CAS: 4063-41-6
PubChem: 124490077
ChEBI: 82453
ChEMBL: CHEMBL50703
KCF data Show

ATOM        16
            1   C8y C    28.3500  -16.5200
            2   C8y C    28.3500  -17.9200
            3   C8x C    29.5400  -18.6200
            4   C8x C    30.8000  -17.9200
            5   C8y C    30.8000  -16.5200
            6   C8y C    29.5400  -15.8200
            7   O7x O    27.1600  -15.8200
            8   C8y C    25.9700  -16.5200
            9   C8x C    25.9700  -17.9200
            10  C8y C    27.1600  -18.6200
            11  O6a O    24.7100  -15.8200
            12  C1a C    27.1600  -20.0200
            13  O2x O    31.8500  -15.6100
            14  C8y C    31.2200  -14.3500
            15  C8x C    29.8900  -14.4900
            16  C1a C    31.8926  -13.1221
BOND        18
            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    8  11 2
            13   10  12 1
            14    5  13 1
            15   13  14 1
            16   14  15 2
            17    6  15 1
            18   14  16 1

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