KEGG   COMPOUND: C13799
Entry
C13799                      Compound                               
Name
(+)-Hydrastine;
(+)-beta-Hydrastine
Formula
C21H21NO6
Exact mass
383.1369
Mol weight
383.3945
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C13799  (+)-beta-Hydrastine
Other DBs
PubChem: 854044
ChEBI: 33990
NIKKAJI: J1.238.122K
LinkDB
KCF data

ATOM        28
            1   C1y C    28.4382  -17.5106
            2   C8y C    27.1054  -17.9436
            3   C1y C    28.4090  -16.1195
            4   O7x O    29.2618  -18.6444
            5   C8y C    27.0996  -19.3465
            6   C8x C    25.8943  -17.2357
            7   C8y C    27.2621  -15.4127
            8   N1y N    29.6247  -15.4244
            9   C7x C    28.4322  -19.7785
            10  C8y C    25.8943  -20.0359
            11  C8x C    24.6784  -17.9436
            12  C8y C    27.1979  -14.0156
            13  C8x C    25.9939  -16.1136
            14  C1x C    29.6305  -14.0215
            15  C1a C    30.8289  -16.1195
            16  C8y C    24.6784  -19.3407
            17  O2a O    25.8943  -21.4212
            18  C8x C    25.9939  -13.3135
            19  C1x C    28.4207  -13.3194
            20  C8y C    24.7839  -15.4127
            21  O2a O    23.4686  -20.0299
            22  C1a C    24.6784  -22.1234
            23  C8y C    24.7839  -14.0098
            24  O2x O    23.4454  -15.8387
            25  O2x O    23.4511  -13.5709
            26  C1x C    22.6275  -14.7048
            27  C1a C    23.4630  -21.4226
            28  O6a O    28.8532  -21.1112
BOND        32
            1     1   3 1
            2     1   4 1
            3     2   5 2
            4     2   6 1
            5     3   7 1
            6     3   8 1
            7     4   9 1
            8     5  10 1
            9     6  11 2
            10    7  12 2
            11    7  13 1
            12    8  14 1
            13    8  15 1
            14   10  16 2
            15   10  17 1
            16   12  18 1
            17   12  19 1
            18   13  20 2
            19   16  21 1
            20   17  22 1
            21   18  23 2
            22   20  24 1
            23   23  25 1
            24   24  26 1
            25    5   9 1
            26   11  16 1
            27   14  19 1
            28   20  23 1
            29   25  26 1
            30   21  27 1
            31    1   2 1
            32    9  28 2

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