KEGG   COMPOUND: C12162Help
Entry
C12162                      Compound                               

Name
Crinine
Formula
C16H17NO3
Exact mass
271.1208
Mol weight
271.3111
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00950  Isoquinoline alkaloid biosynthesis
map01063  Biosynthesis of alkaloids derived from shikimate pathway
map01110  Biosynthesis of secondary metabolites
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C12162  Crinine
BRITE hierarchy
Other DBs
PubChem: 14309
ChEBI: 31437
ChEMBL: CHEMBL1221864
KNApSAcK: C00024384
NIKKAJI: J964.437G
LinkDB All DBs
KCF data Show

ATOM        20
            1   C8x C    25.1872  -22.9636
            2   C8x C    25.1872  -20.2393
            3   C1x C    29.8983  -20.2636
            4   C1y C    29.9096  -18.9051
            5   C2x C    27.4865  -18.8858
            6   C2x C    28.7330  -18.2202
            7   C8y C    24.0095  -22.2731
            8   C8y C    24.0088  -20.9176
            9   O2x O    22.7193  -20.4993
            10  C1x C    21.9234  -21.5965
            11  O2x O    22.7207  -22.6926
            12  C8y C    26.3499  -20.9266
            13  C8y C    26.2870  -22.2954
            14  C1x C    27.5459  -22.9735
            15  N1y N    28.7277  -22.2830
            16  C1y C    28.7206  -20.9143
            17  C1z C    27.5317  -20.2360
            18  C1x C    28.7033  -19.5444
            19  C1x C    29.9003  -21.5945
            20  O1a O    31.0836  -18.2167
BOND        24
            1     7   8 1
            2     8   9 1
            3     9  10 1
            4    10  11 1
            5    11   7 1
            6     4   6 1
            7     5  17 1
            8     1  13 1
            9    12   2 1
            10    5   6 2
            11    2   8 2
            12   12  13 2
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  12 1
            18   17  18 1 #Up
            19    7   1 2
            20   15  19 1 #Up
            21   16   3 1
            22    4  20 1 #Down
            23    3   4 1
            24   18  19 1

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