KEGG   COMPOUND: C16985Help
Entry
C16985                      Compound                               

Name
Leonurine;
Norboldine
Formula
C14H21N3O5
Exact mass
311.1481
Mol weight
311.3336
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 24697-74-3
PubChem: 96023471
ChEBI: 80843
ChEMBL: CHEMBL1290284
NIKKAJI: J19.938I
LinkDB All DBs
KCF data Show

ATOM        22
            1   C8y C    19.1800  -24.5700
            2   C8y C    19.1800  -25.9700
            3   C8y C    20.3924  -26.6700
            4   C8x C    21.6049  -25.9700
            5   C8y C    21.6049  -24.5700
            6   C8x C    20.3924  -23.8700
            7   C7a C    22.8360  -23.8590
            8   O1a O    17.9676  -26.6700
            9   O2a O    17.9676  -23.8700
            10  O2a O    20.3924  -28.0698
            11  C1a C    19.1632  -28.7797
            12  C1a C    16.7721  -24.5604
            13  O7a O    24.0412  -24.5547
            14  O6a O    22.8357  -22.4701
            15  C1b C    25.2235  -23.8719
            16  C1b C    26.4175  -24.5612
            17  C1b C    27.6054  -23.8752
            18  C1b C    28.7965  -24.5629
            19  N1b N    29.9859  -23.8761
            20  C2c C    31.1762  -24.5634
            21  N1a N    32.3661  -23.8763
            22  N2a N    31.1764  -25.9698
BOND        22
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     5   7 1
            8     2   8 1
            9     1   9 1
            10    3  10 1
            11   10  11 1
            12    9  12 1
            13    7  13 1
            14    7  14 2
            15   13  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   20  22 2

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