KEGG   COMPOUND: C16708Help
Entry
C16708                      Compound                               

Name
Isoandrocymbine
Formula
C21H25NO5
Exact mass
371.1733
Mol weight
371.4269
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00950  Isoquinoline alkaloid biosynthesis
map01063  Biosynthesis of alkaloids derived from shikimate pathway
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.21.-       2.1.1.-
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C16708  Isoandrocymbine
BRITE hierarchy
Other DBs
PubChem: 96023232
ChEBI: 80673
NIKKAJI: J781.868H
KCF data Show

ATOM        27
            1   C1z C    24.3604  -14.9528
            2   C8y C    23.3081  -14.1221
            3   C2y C    25.6700  -14.6595
            4   C2x C    23.9606  -16.2378
            5   C1x C    24.6646  -13.6481
            6   C8y C    23.3086  -12.7756
            7   C8y C    22.1362  -14.7919
            8   C1y C    26.2523  -13.4425
            9   C2x C    26.5876  -15.6490
            10  C2y C    24.8705  -17.2296
            11  C1x C    27.2070  -12.1188
            12  C8x C    22.1424  -12.1017
            13  C1x C    24.3626  -11.9336
            14  C8y C    20.9752  -14.1208
            15  O2a O    22.1276  -16.1406
            16  C1x C    25.6780  -12.2304
            17  N1y N    27.5896  -13.4113
            18  C5x C    26.1828  -16.9311
            19  O2a O    24.2248  -18.4047
            20  C8y C    20.9758  -12.7742
            21  O2a O    19.8203  -14.8199
            22  C1a C    20.9638  -16.8081
            23  C1a C    28.5594  -14.3430
            24  O5x O    27.1548  -17.8708
            25  C1a C    22.9142  -18.7841
            26  O1a O    19.7897  -12.1360
            27  C1a C    18.4680  -14.4576
BOND        30
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 2
            6     2   7 1
            7     3   8 1
            8     3   9 2
            9     4  10 2
            10    5  11 1
            11    6  12 1
            12    6  13 1
            13    7  14 2
            14    7  15 1
            15    8  16 1
            16    8  17 1 #Down
            17    9  18 1
            18   10  19 1
            19   12  20 2
            20   14  21 1
            21   15  22 1
            22   17  23 1
            23   18  24 2
            24   19  25 1
            25   20  26 1
            26   10  18 1
            27   11  17 1
            28   13  16 1
            29   14  20 1
            30   21  27 1

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