KEGG   COMPOUND: C10483
Entry
C10483                      Compound                               
Name
Phaseolic acid
Formula
C13H12O8
Exact mass
296.0532
Mol weight
296.23
Structure
Other DBs
CAS: 53755-04-7
PubChem: 12666
ChEBI: 8043
KNApSAcK: C00002765
NIKKAJI: J10.874J
LinkDB
KCF data

ATOM        21
            1   C8y C    23.6600  -20.0900
            2   C8y C    23.6600  -21.4900
            3   C8x C    24.8724  -22.1900
            4   C8x C    26.0849  -21.4900
            5   C8y C    26.0849  -20.0900
            6   C8x C    24.8724  -19.3900
            7   C2b C    27.3224  -19.3900
            8   C2b C    28.5349  -20.0900
            9   C7a C    29.7473  -19.3900
            10  O7a O    30.9597  -20.0900
            11  C1c C    32.1722  -19.3900
            12  C1b C    33.3846  -20.0900
            13  C6a C    34.5970  -19.3900
            14  O1a O    22.4476  -19.3900
            15  O1a O    22.4476  -22.1900
            16  O6a O    29.7473  -17.9900
            17  C6a C    32.1722  -17.9903
            18  O6a O    33.4054  -17.2780
            19  O6a O    30.9806  -17.3022
            20  O6a O    35.7966  -20.0827
            21  O6a O    34.5971  -17.9901
BOND        21
            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     5   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14    1  14 1
            15    2  15 1
            16    9  16 2
            17   11  17 1 #Down
            18   17  18 1
            19   17  19 2
            20   13  20 1
            21   13  21 2

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