KEGG   COMPOUND: C09612
Entry
C09612                      Compound                               
Name
Psychotrine
Formula
C28H36N2O4
Exact mass
464.2675
Mol weight
464.5964
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C09612  Psychotrine
Other DBs
CAS: 7633-29-6
PubChem: 11803
ChEBI: 8622
KNApSAcK: C00001907
3DMET: B03128
NIKKAJI: J14.290E
KCF data

ATOM        34
            1   C1y C    24.3686  -16.7501
            2   C8y C    23.1607  -16.0558
            3   N1y N    25.5881  -16.0675
            4   C1x C    24.3569  -18.1505
            5   C8y C    23.1665  -14.6554
            6   C8x C    21.9586  -16.7560
            7   C1x C    26.7901  -16.7735
            8   C1x C    25.5939  -14.6670
            9   C1y C    25.5648  -18.8565
            10  C8x C    21.9586  -13.9492
            11  C1x C    24.3803  -13.9552
            12  C8y C    20.7392  -16.0558
            13  C1y C    26.7784  -18.1739
            14  C8y C    20.7392  -14.6554
            15  O2a O    19.5254  -16.7560
            16  C1b C    27.9863  -18.8682
            17  O2a O    19.5254  -13.9492
            18  C1a C    18.3059  -16.0558
            19  C1a C    29.2001  -18.1563
            20  C1a C    18.3118  -14.6495
            21  C1b C    25.5531  -20.2629
            22  C2y C    24.3336  -20.9514
            23  C8y C    24.3102  -22.3519
            24  N2x N    23.1374  -20.2336
            25  C8y C    23.0907  -23.0287
            26  C8x C    25.5064  -23.0812
            27  C1x C    21.9062  -20.9105
            28  C8x C    23.0499  -24.4232
            29  C1x C    21.8945  -22.3109
            30  C8y C    25.4714  -24.4816
            31  C8y C    24.2461  -25.1468
            32  O2a O    26.6792  -25.1935
            33  O1a O    24.2402  -26.5472
            34  C1a C    26.6501  -26.5939
BOND        38
            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   10  14 2
            14   12  15 1
            15   13  16 1 #Down
            16   14  17 1
            17   15  18 1
            18   16  19 1
            19   17  20 1
            20    8  11 1
            21    9  13 1
            22   12  14 1
            23   21  22 1
            24   22  23 1
            25   22  24 2
            26   23  25 2
            27   23  26 1
            28   24  27 1
            29   25  28 1
            30   25  29 1
            31   26  30 2
            32   28  31 2
            33   30  32 1
            34   31  33 1
            35   32  34 1
            36   27  29 1
            37   30  31 1
            38    9  21 1 #Up

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