KEGG   COMPOUND: C08521
Entry
C08521                      Compound                               

Name
Caranine
Formula
C16H17NO3
Exact mass
271.1208
Mol weight
271.3111
Structure
Reaction
Pathway
map00950  Isoquinoline alkaloid biosynthesis
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C08521  Caranine
Other DBs
CAS: 477-12-3
PubChem: 10714
ChEBI: 3383
ChEMBL: CHEMBL575125
KNApSAcK: C00001565
3DMET: B02192
NIKKAJI: J12.441I
KCF data

ATOM        20
            1   C1y C    29.0253  -18.0600
            2   C1y C    27.8769  -17.3605
            3   N1y N    29.0660  -19.4533
            4   C2y C    30.3370  -17.5821
            5   C8y C    26.6586  -18.0600
            6   C1y C    27.8886  -15.9673
            7   C1x C    27.8653  -20.1529
            8   C1x C    30.4127  -19.8438
            9   C1x C    31.1939  -18.6838
            10  C2x C    30.2960  -15.9907
            11  C8y C    26.6586  -19.4591
            12  C8x C    25.4519  -17.3721
            13  C1x C    29.0953  -15.2852
            14  O1a O    26.6702  -15.2735
            15  C8x C    25.4635  -20.1586
            16  C8y C    24.2452  -18.0776
            17  C8y C    24.1869  -19.4707
            18  O2x O    22.9161  -17.6578
            19  O2x O    22.9337  -19.9138
            20  C1x C    22.1059  -18.7888
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 2
            11    5  12 1
            12    6  13 1
            13    6  14 1 #Down
            14   11  15 1
            15   12  16 2
            16   15  17 2
            17   16  18 1
            18   17  19 1
            19   18  20 1
            20    7  11 1
            21    8   9 1
            22   10  13 1
            23   16  17 1
            24   19  20 1

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