KEGG   COMPOUND: C10135Help
Entry
C10135                      Compound                               

Name
Carpaine
Formula
C28H50N2O4
Exact mass
478.3771
Mol weight
478.7076
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from lysine
   Piperidine alkaloids
    C10135  Carpaine
BRITE hierarchy
Other DBs
CAS: 3463-92-1
PubChem: 12321
ChEBI: 3433
KNApSAcK: C00002026
3DMET: B03573
NIKKAJI: J14.437A
LinkDB All DBs
KCF data Show

ATOM        34
            1   C1y C    32.1900  -17.3777
            2   C1y C    32.1959  -15.9730
            3   C1x C    30.9719  -18.0655
            4   O7a O    33.3909  -18.0714
            5   N1x N    30.9834  -15.2618
            6   C1a C    33.3966  -15.2561
            7   C1x C    29.7594  -17.3662
            8   C7a C    33.3909  -19.4645
            9   C1y C    29.7653  -15.9613
            10  C1b C    32.1783  -20.1582
            11  O6a O    34.6032  -20.1699
            12  C1b C    28.5528  -15.2561
            13  C1b C    30.9719  -19.4587
            14  C1b C    27.3404  -15.9613
            15  C1b C    29.7594  -20.1523
            16  C1b C    26.1396  -15.2561
            17  C1b C    28.5470  -19.4470
            18  C1b C    24.9272  -15.9613
            19  C1b C    27.3345  -20.1465
            20  C1b C    23.7147  -15.2561
            21  C1b C    26.1279  -19.4411
            22  C1b C    22.5024  -15.9613
            23  C1b C    24.9330  -20.1582
            24  C1b C    21.2900  -15.2561
            25  C1y C    23.7264  -19.4587
            26  C7a C    20.0834  -15.9613
            27  N1x N    22.5140  -20.1582
            28  C1x C    23.7264  -18.0538
            29  O7a O    20.0834  -17.3603
            30  O6a O    18.8592  -15.2561
            31  C1y C    21.3017  -19.4587
            32  C1x C    22.5140  -17.3603
            33  C1y C    21.3017  -18.0538
            34  C1a C    20.0834  -20.1523
BOND        36
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     8  10 1
            10    8  11 2
            11    9  12 1 #Up
            12   10  13 1
            13   12  14 1
            14   13  15 1
            15   14  16 1
            16   15  17 1
            17   16  18 1
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22   21  23 1
            23   22  24 1
            24   25  23 1 #Up
            25   24  26 1
            26   25  27 1
            27   25  28 1
            28   26  29 1
            29   26  30 2
            30   27  31 1
            31   28  32 1
            32   33  29 1 #Up
            33   31  34 1 #Up
            34    7   9 1
            35   31  33 1
            36   32  33 1

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