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 search
Reaction
Pathway
map00901  Indole alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
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: 7179
ChEBI: 18430
3DMET: B01762
NIKKAJI: J2.752.044H
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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