KEGG   COMPOUND: C02134Help
Entry
C02134                      Compound                               

Name
Allocryptopine
Formula
C21H23NO5
Exact mass
369.1576
Mol weight
369.411
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00950  Isoquinoline alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C02134  Allocryptopine
BRITE hierarchy
Other DBs
CAS: 24240-04-8 485-91-6
PubChem: 5213
ChEBI: 17390
ChEMBL: CHEMBL520043
KNApSAcK: C00001799
3DMET: B01536
NIKKAJI: J12.568G
LinkDB All DBs
KCF data Show

ATOM        27
            1   C8y C    20.7131  -14.7985
            2   C8y C    19.4827  -15.5090
            3   C8y C    21.9498  -15.5026
            4   C1x C    20.7131  -13.3844
            5   C1x C    18.2714  -14.7923
            6   C8x C    19.4891  -16.9359
            7   C8y C    21.9562  -16.9296
            8   O2a O    23.1421  -14.8050
            9   N1y N    19.4254  -12.6868
            10  C5x C    18.2778  -13.3779
            11  C8x C    20.7195  -17.6588
            12  O2a O    23.1548  -17.6145
            13  C1a C    24.3407  -15.4899
            14  C1x C    19.4827  -11.2724
            15  C1a C    20.6750  -11.9827
            16  C8y C    17.0537  -12.6803
            17  O5x O    17.0728  -14.0566
            18  C1a C    23.1611  -18.9908
            19  C1x C    18.2651  -10.5748
            20  C8y C    17.0537  -11.2851
            21  C8x C    15.8488  -13.3844
            22  C8x C    15.8488  -10.5938
            23  C8y C    14.6500  -12.6803
            24  C8y C    14.6500  -11.2851
            25  O2x O    13.3247  -13.1054
            26  O2x O    13.3310  -10.8603
            27  C1x C    12.5192  -11.9765
BOND        30
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    8  13 1
            13    9  14 1
            14    9  15 1
            15   10  16 1
            16   10  17 2
            17   12  18 1
            18   14  19 1
            19   16  20 2
            20   16  21 1
            21   20  22 1
            22   21  23 2
            23   22  24 2
            24   23  25 1
            25   24  26 1
            26   25  27 1
            27    7  11 1
            28   19  20 1
            29   23  24 1
            30   26  27 1

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