KEGG   COMPOUND: C09951
Entry
C09951                      Compound                               

Name
Maclurin
Formula
C13H10O6
Exact mass
262.0477
Mol weight
262.2149
Structure
Other DBs
CAS: 519-34-6
PubChem: 12137
ChEBI: 6624
ChEMBL: CHEMBL506731
KNApSAcK: C00003003
3DMET: B03406
NIKKAJI: J182.278K
LinkDB
KCF data

ATOM        19
            1   C8y C    26.7791  -19.5658
            2   C5a C    27.9853  -18.8608
            3   C8y C    26.7850  -20.9703
            4   C8y C    25.5554  -18.8665
            5   C8y C    29.1916  -19.5601
            6   O5a O    27.9853  -17.4622
            7   C8x C    25.5728  -21.6696
            8   O1a O    28.0029  -21.6580
            9   C8x C    24.3491  -19.5775
            10  O1a O    25.5496  -17.4681
            11  C8x C    30.4038  -18.8551
            12  C8x C    29.1916  -20.9587
            13  C8y C    24.3550  -20.9820
            14  C8y C    31.6217  -19.5601
            15  C8x C    30.4038  -21.6580
            16  O1a O    23.1488  -21.6813
            17  C8y C    31.6217  -20.9587
            18  O1a O    32.8280  -18.8551
            19  O1a O    32.8280  -21.6580
BOND        20
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 2
            12    7  13 1
            13   11  14 2
            14   12  15 1
            15   13  16 1
            16   14  17 1
            17   14  18 1
            18   17  19 1
            19    9  13 2
            20   15  17 2

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