KEGG   COMPOUND: C10130Help
Entry
C10130                      Compound                               

Name
Astrocasine
Formula
C20H26N2O
Exact mass
310.2045
Mol weight
310.4332
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from lysine
   Piperidine alkaloids
    C10130  Astrocasine
BRITE hierarchy
Other DBs
CAS: 2114-92-3
PubChem: 12316
ChEBI: 2900
KNApSAcK: C00002021
3DMET: B03568
NIKKAJI: J2.204.291B
KCF data Show

ATOM        23
            1   C1y C    25.7306  -18.3094
            2   C8y C    24.2817  -19.0881
            3   N1y N    26.9634  -18.9118
            4   C1x C    25.7593  -16.8367
            5   C8y C    24.3226  -20.4904
            6   C8x C    23.0484  -18.4211
            7   C1x C    28.1617  -18.2218
            8   C5x C    27.2508  -20.2269
            9   C1x C    26.9576  -16.1418
            10  C2x C    25.0585  -21.3612
            11  C8x C    23.1244  -21.2145
            12  C8x C    21.8631  -19.1580
            13  C1y C    28.1617  -16.8367
            14  C2x C    26.3804  -21.3259
            15  O5x O    28.5061  -20.6532
            16  C8x C    21.8340  -20.5546
            17  C1y C    29.3539  -16.1535
            18  N1y N    30.5521  -16.8425
            19  C1x C    29.3539  -14.7684
            20  C1x C    31.7504  -16.1535
            21  C1a C    30.5463  -18.2276
            22  C1x C    30.5521  -14.0784
            23  C1x C    31.7504  -14.7684
BOND        26
            1     1   2 1
            2     1   3 1
            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    5  11 1
            11    6  12 2
            12    7  13 1
            13    8  14 1
            14    8  15 2
            15   11  16 2
            16   13  17 1
            17   17  18 1
            18   17  19 1
            19   18  20 1
            20   18  21 1
            21   19  22 1
            22   20  23 1
            23    9  13 1
            24   10  14 2
            25   12  16 1
            26   22  23 1

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