KEGG   COMPOUND: C10720Help
Entry
C10720                      Compound                               

Name
Picein
Formula
C14H18O7
Exact mass
298.1053
Mol weight
298.2885
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 530-14-3
PubChem: 12903
ChEBI: 8199
ChEMBL: CHEMBL1512620
KNApSAcK: C00002707
3DMET: B04089
NIKKAJI: J6.697D
LinkDB All DBs
KCF data Show

ATOM        21
            1   C1y C    29.2005  -21.2895
            2   O2x O    27.9853  -20.5900
            3   C1y C    26.7719  -21.2927
            4   C1y C    26.7737  -22.6948
            5   C1y C    27.9890  -23.3943
            6   C1y C    29.2024  -22.6916
            7   O2a O    30.4167  -20.5900
            8   C1b C    25.5595  -20.5949
            9   O1a O    27.9909  -24.7932
            10  O1a O    25.5632  -23.3960
            11  O1a O    30.4148  -23.3895
            12  O1a O    24.3489  -21.2959
            13  C8y C    31.6481  -21.3043
            14  C8x C    31.6452  -22.6800
            15  C8x C    32.8562  -23.3825
            16  C8y C    34.0701  -22.6851
            17  C8x C    34.0730  -21.3094
            18  C8x C    32.8620  -20.6068
            19  C5a C    35.3024  -23.3800
            20  C1a C    36.5149  -22.6800
            21  O5a O    35.3095  -24.7797
BOND        22
            1     6   1 1
            2     1   2 1
            3     2   3 1
            4     1   7 1 #Up
            5     3   4 1
            6     3   8 1 #Up
            7     4   5 1
            8     5   9 1 #Up
            9     5   6 1
            10    4  10 1 #Down
            11    6  11 1 #Down
            12    8  12 1
            13    7  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   13  18 1
            20   16  19 1
            21   19  20 1
            22   19  21 2

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