KEGG   COMPOUND: C21583Help
Entry
C21583                      Compound                               

Name
6-O-Methyl-N-deacetylisoipecoside aglycon
Formula
C20H25NO6
Exact mass
375.1682
Mol weight
375.4156
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00950  Isoquinoline alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
3.2.1.-
Other DBs
PubChem: 340125644
KCF data Show

ATOM        27
            1   C1y C    19.3882  -12.1789
            2   C8y C    18.1983  -11.4790
            3   N1x N    20.5781  -11.4790
            4   C8y C    18.1983  -10.0791
            5   C8x C    17.0085  -12.1789
            6   C1x C    20.5781  -10.0791
            7   C1x C    19.3882   -9.3791
            8   C8x C    17.0085   -9.3791
            9   C8y C    15.7486  -11.4790
            10  C8y C    15.7486  -10.0791
            11  O1a O    14.5587  -12.1789
            12  O2a O    14.5587   -9.3791
            13  C1y C    20.5781  -16.5885
            14  C1y C    20.5781  -15.2586
            15  C1y C    21.6980  -17.2884
            16  C2b C    19.3882  -17.2184
            17  C2y C    21.6980  -14.5587
            18  C1b C    19.3882  -14.5587
            19  O2x O    22.8879  -16.5885
            20  C2a C    18.1983  -16.5885
            21  C2x C    22.8879  -15.2586
            22  C7a C    21.6980  -13.2288
            23  O7a O    22.8879  -12.5289
            24  O6a O    20.5081  -12.5289
            25  C1a C    23.9378  -13.2288
            26  C1a C    13.2988  -10.0791
            27  O1a O    21.6980  -18.6884
BOND        29
            1     1   2 1
            2     1   3 1
            3     2   4 2
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 1
            8     5   9 2
            9     8  10 2
            10    9  11 1
            11   10  12 1
            12    6   7 1
            13    9  10 1
            14   13  14 1
            15   13  15 1
            16   13  16 1
            17   14  17 1
            18   14  18 1
            19   15  19 1
            20   16  20 2
            21   17  21 2
            22   17  22 1
            23   22  23 1
            24   22  24 2
            25   23  25 1
            26   19  21 1
            27   18   1 1
            28   12  26 1
            29   15  27 1 #Up

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