KEGG   COMPOUND: C16811Help
Entry
C16811                      Compound                               

Name
Baldrinal
Formula
C12H10O4
Exact mass
218.0579
Mol weight
218.2054
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 18234-46-3
PubChem: 96023335
ChEBI: 80746
NIKKAJI: J74.716E
LinkDB All DBs
KCF data Show

ATOM        16
            1   C8y C    18.7735  -17.8443
            2   C8y C    20.1078  -17.4230
            3   C8x C    18.0010  -16.7207
            4   C8y C    20.1078  -16.0184
            5   C8x C    21.3017  -18.1253
            6   C8x C    18.7735  -15.5971
            7   C8y C    21.3017  -15.3161
            8   O2x O    22.5659  -17.4230
            9   C8x C    22.5659  -16.0184
            10  C4a C    18.2819  -19.1788
            11  C1b C    21.3015  -13.9115
            12  O4a O    16.9476  -19.4596
            13  O7a O    22.4687  -13.1809
            14  C7a C    23.6768  -13.8214
            15  C1a C    24.8732  -13.0714
            16  O6a O    23.7279  -15.2463
BOND        17
            1     2   4 1
            2     2   5 2
            3     3   6 1
            4     4   7 1
            5     5   8 1
            6     7   9 2
            7     4   6 2
            8     8   9 1
            9     1   2 1
            10    1   3 2
            11    1  10 1
            12    7  11 1
            13   10  12 2
            14   11  13 1
            15   13  14 1
            16   14  15 1
            17   14  16 2

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