KEGG   COMPOUND: C12193Help
Entry
C12193                      Compound                               

Name
Vittatine;
(3beta,5alpha,13beta,19alpha)-1,2-Didehydro-crinan-3-ol
Formula
C16H17NO3
Exact mass
271.1208
Mol weight
271.3111
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00950  Isoquinoline alkaloid biosynthesis
Other DBs
CAS: 510-69-0
PubChem: 14339
ChEBI: 68310
ChEMBL: CHEMBL469648
KNApSAcK: C00024446
NIKKAJI: J14.000G
KCF data Show

ATOM        20
            1   C8x C    26.7063  -21.9141
            2   C8x C    26.7063  -19.1939
            3   C8y C    27.8752  -19.8776
            4   C8y C    27.8692  -21.2375
            5   C1x C    29.0466  -21.9192
            6   N1y N    30.2296  -21.2479
            7   C8y C    25.5230  -21.2375
            8   C8y C    25.5273  -19.8747
            9   O2x O    24.2270  -19.4456
            10  C1x C    23.4231  -20.5463
            11  O2x O    24.2202  -21.6516
            12  C1z C    29.0584  -19.1992
            13  C1y C    30.2296  -19.8907
            14  C1x C    31.4124  -19.2188
            15  C1y C    31.4239  -17.8623
            16  C2x C    30.2525  -17.1709
            17  C2x C    29.0699  -17.8425
            18  O1a O    32.6027  -17.1888
            19  C1x C    30.2307  -18.5103
            20  C1x C    31.4004  -20.5541
BOND        24
            1     7   8 1
            2     8   9 1
            3     9  10 1
            4    10  11 1
            5    11   7 1
            6     3   4 2
            7     4   5 1
            8     5   6 1
            9     6  13 1
            10   12   3 1
            11    2   8 2
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 2
            17   17  12 1
            18    7   1 2
            19   15  18 1 #Up
            20    1   4 1
            21   12  19 1 #Down
            22    3   2 1
            23    6  20 1 #Down
            24   19  20 1

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