KEGG   COMPOUND: C08290
Entry
C08290                      Compound                               
Name
Lathyrine;
L-Lathyrine
Formula
C7H10N4O2
Exact mass
182.0804
Mol weight
182.1799
Structure
Other DBs
CAS: 13089-99-1
PubChem: 10488
ChEBI: 6259
KNApSAcK: C00001376
NIKKAJI: J15.395H
KCF data

ATOM        13
            1   C8y C    27.4400  -19.5300
            2   C1b C    28.6300  -18.8300
            3   N5x N    26.2500  -18.8300
            4   C8x C    27.4400  -20.9300
            5   C1c C    29.8900  -19.5300
            6   C8y C    24.9900  -19.5300
            7   C8x C    26.2500  -21.7000
            8   C6a C    31.0800  -18.9000
            9   N1a N    29.8900  -20.9300
            10  N5x N    24.9900  -21.0000
            11  N1a N    23.8000  -18.8300
            12  O6a O    32.2700  -19.5300
            13  O6a O    31.0800  -17.4300
BOND        13
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     5   8 1
            8     5   9 1 #Up
            9     6  10 1
            10    6  11 1
            11    8  12 1
            12    8  13 2
            13    7  10 2

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