KEGG   COMPOUND: C09553Help
Entry
C09553                      Compound                               

Name
Jatrorrhizine
Formula
C20H20NO4
Exact mass
338.1392
Mol weight
338.3771
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C09553  Jatrorrhizine
BRITE hierarchy
Other DBs
CAS: 3621-38-3
PubChem: 11744
ChEBI: 6087
ChEMBL: CHEMBL251055
KNApSAcK: C00001874
3DMET: B03074
NIKKAJI: J37.067C
LinkDB All DBs
KCF data Show

ATOM        25
            1   C8y C    26.7278  -17.0153
            2   C8y C    25.5248  -16.3202
            3   N5y N    27.9484  -16.3261 #+
            4   C8x C    26.7220  -18.4169
            5   C8y C    25.5189  -14.9187
            6   C8x C    24.3159  -17.0094
            7   C8x C    29.1573  -17.0270
            8   C1x C    27.9543  -14.9304
            9   C8y C    27.9367  -19.1177
            10  C1x C    26.7395  -14.2179
            11  C8x C    24.3042  -14.2120
            12  C8y C    23.0894  -16.3202
            13  C8y C    29.2215  -18.4286
            14  C8x C    27.9193  -20.5135
            15  C8y C    23.0894  -14.9187
            16  O2a O    21.8806  -17.0210
            17  C8y C    30.3545  -19.1411
            18  C8x C    29.1222  -21.2202
            19  O1a O    21.8747  -14.2120
            20  C1a C    20.6658  -16.3202
            21  C8y C    30.4128  -20.5368
            22  O2a O    31.5692  -18.4461
            23  O2a O    31.5460  -21.2260
            24  C1a C    32.7840  -19.1528
            25  C1a C    32.7606  -20.5194
BOND        28
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 2
            11    6  12 1
            12    7  13 1
            13    9  14 1
            14   11  15 1
            15   12  16 1
            16   13  17 1
            17   14  18 2
            18   15  19 1
            19   16  20 1
            20   17  21 2
            21   17  22 1
            22   21  23 1
            23   22  24 1
            24   23  25 1
            25    8  10 1
            26    9  13 2
            27   12  15 2
            28   18  21 1

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