KEGG   COMPOUND: C09006
Entry
C09006                      Compound                               
Name
Eupatoriochromene;
1-(7-Hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-ethanone
Formula
C13H14O3
Exact mass
218.0943
Mol weight
218.25
Structure
Other DBs
CAS: 19013-03-7
PubChem: 11198
ChEBI: 4936
KNApSAcK: C00002427
NIKKAJI: J13.475I
LinkDB
KCF data

ATOM        16
            1   C8y C    28.5428  -19.5712
            2   C8y C    28.5778  -18.1820
            3   C8x C    27.4280  -20.3124
            4   C2x C    29.8328  -20.2306
            5   C8x C    27.3462  -17.5223
            6   O2x O    29.7569  -17.4582
            7   C8y C    26.2021  -19.6529
            8   C2x C    31.0117  -19.5070
            9   C8y C    26.1556  -18.2578
            10  C1z C    30.9767  -18.1236
            11  C5a C    25.0173  -20.3941
            12  O1a O    24.9240  -17.5983
            13  C1a C    32.1675  -17.3940
            14  C1a C    32.2667  -18.9232
            15  O5a O    24.9882  -21.7891
            16  C1a C    23.7858  -19.7345
BOND        17
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 2
            8     5   9 2
            9     6  10 1
            10    7  11 1
            11    9  12 1
            12   10  13 1
            13   10  14 1
            14   11  15 2
            15   11  16 1
            16    7   9 1
            17    8  10 1

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