KEGG   COMPOUND: C09089
Entry
C09089                      Compound                               
Name
Calligonine;
Elaeagnine;
Tetrahydroharman
Formula
C12H14N2
Exact mass
186.1157
Mol weight
186.253
Structure
Reaction
R08483
Pathway
map00901  Indole alkaloid biosynthesis
map01063  Biosynthesis of alkaloids derived from shikimate pathway
Other DBs
CAS: 525-40-6
PubChem: 11281
ChEBI: 3323
KNApSAcK: C00001699
PDB-CCD: QGH[PDBj]
3DMET: B02674
NIKKAJI: J144.137J
LinkDB
KCF data

ATOM        14
            1   C8y C    26.9852  -17.1616
            2   C8y C    25.6846  -17.6457
            3   C8y C    27.8483  -18.2522
            4   C1x C    27.5043  -15.8668
            5   C8y C    25.6963  -19.0337
            6   C8x C    24.4717  -16.9575
            7   N4x N    27.0784  -19.4127
            8   C1y C    29.2247  -18.0539
            9   C1x C    28.8864  -15.6628
            10  C8x C    24.4891  -19.7393
            11  C8x C    23.2644  -17.6631
            12  N1x N    29.7497  -16.7591
            13  C1a C    30.1229  -19.2028
            14  C8x C    23.2061  -19.0511
BOND        16
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 2
            11    8  12 1
            12    8  13 1 #Down
            13   10  14 2
            14    5   7 1
            15    9  12 1
            16   11  14 1

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