KEGG   COMPOUND: C12194
Entry
C12194                      Compound                               

Name
11-Hydroxyvittatine
Formula
C16H17NO4
Exact mass
287.1158
Mol weight
287.3105
Structure
Other DBs
CAS: 23610-70-0
PubChem: 14340
ChEBI: 31052
ChEMBL: CHEMBL2087241 CHEMBL250055
KNApSAcK: C00024350 C00027615
NIKKAJI: J806.648E
KCF data

ATOM        21
            1   C8x C    26.7415  -21.8880
            2   C8x C    26.7415  -19.2079
            3   C8y C    27.9043  -19.8780
            4   C8y C    27.8984  -21.2179
            5   C1x C    29.0553  -21.8931
            6   N1y N    30.2252  -21.2282
            7   C8y C    25.5786  -21.2179
            8   C8y C    25.5829  -19.8751
            9   O2x O    24.3026  -19.4528
            10  C1x C    23.5123  -20.5402
            11  O2x O    24.2958  -21.6322
            12  C1z C    29.0671  -19.2131
            13  C1y C    30.2252  -19.8912
            14  C1x C    31.3879  -19.2328
            15  C1y C    31.3294  -17.8895
            16  C2x C    30.2411  -17.2116
            17  C2x C    29.0786  -17.8768
            18  O1a O    32.5649  -17.2295
            19  C1y C    30.2262  -18.5308
            20  C1x C    31.3759  -20.5479
            21  O1a O    32.3193  -18.5168
BOND        25
            1     8   9 1
            2     9  10 1
            3    10  11 1
            4    11   7 1
            5     3   4 2
            6     4   5 1
            7     5   6 1
            8     6  13 1
            9    12   3 1
            10    2   8 2
            11   12  13 1
            12   13  14 1
            13   14  15 1
            14   15  16 1
            15   16  17 2
            16   17  12 1
            17    7   1 2
            18   15  18 1 #Up
            19    1   4 1
            20   12  19 1 #Down
            21    3   2 1
            22    6  20 1 #Down
            23   19  20 1
            24    7   8 1
            25   19  21 1

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