KEGG   COMPOUND: C04578Help
Entry
C04578                      Compound                               

Name
16-Methoxy-2,3-dihydro-3-hydroxytabersonine;
(3R)-3-Hydroxy-16-methoxy-2,3-dihydrotabersonine
Formula
C22H28N2O4
Exact mass
384.2049
Mol weight
384.4687
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Indole alkaloid biosynthesis
Enzyme
1.1.99.41       2.1.1.99
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Indole alkaloids
    C04578  16-Methoxy-2,3-dihydro-3-hydroxytabersonine
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        28
            1   C1z C    19.8506  -15.3856
            2   C1y C    21.0016  -14.7063
            3   C1y C    19.8506  -16.7440
            4   C8y C    17.5001  -15.3856
            5   C1x C    18.8715  -14.2841
            6   C1z C    22.2125  -15.3798
            7   N1y N    21.0075  -13.4076
            8   C1z C    21.0381  -17.4292
            9   N1x N    18.6760  -17.4292
            10  C8y C    17.5001  -16.7440
            11  C8x C    16.3255  -14.7179
            12  C1x C    19.6102  -13.1682
            13  C1x C    22.2185  -16.7499
            14  C2x C    23.3932  -14.6888
            15  C1b C    23.3580  -16.0473
            16  C1x C    22.2008  -12.6335
            17  C8x C    16.3255  -17.4349
            18  C8x C    15.1686  -15.3856
            19  C2x C    23.3989  -13.3127
            20  C1a C    24.5208  -15.3739
            21  C8y C    15.1686  -16.7440
            22  O2a O    13.9986  -17.4045
            23  C1a C    12.8416  -16.7382
            24  C7a C    21.0503  -18.7235
            25  O1a O    22.8384  -18.3370
            26  O7a O    22.2694  -19.4121
            27  O6a O    19.8736  -19.4171
            28  C1a C    22.2694  -20.8121
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 2
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 1
            14    6  15 1 #Down
            15    7  16 1
            16   10  17 1
            17   11  18 2
            18   14  19 2
            19   15  20 1
            20   17  21 2
            21   21  22 1
            22   22  23 1
            23    7  12 1
            24    8  13 1
            25    9  10 1
            26   16  19 1
            27   18  21 1
            28    8  24 1
            29    8  25 1 #Up
            30   24  26 1
            31   24  27 2
            32   26  28 1

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