KEGG   COMPOUND: C15970
Entry
C15970                      Compound                               
Name
Abscisic acid glucose ester;
Abscisic acid-beta-D-glucopyranosyl ester;
beta-D-Glucopyranosyl abscisate
Formula
C21H30O9
Exact mass
426.1890
Mol weight
426.46
Structure
Reaction
Pathway
map00906  Carotenoid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
2.4.1.263       3.2.1.175
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0103 C15 isoprenoids (sesquiterpenes)
    PR010305 Cyclofarnesane sesquiterpenoids
     C15970  Abscisic acid glucose ester
Other DBs
PubChem: 47205283
ChEBI: 22151
LIPIDMAPS: LMPR0103050011
KNApSAcK: C00029293
NIKKAJI: J679.803I
LinkDB
KCF data

ATOM        30
            1   C1z C    20.2712  -17.0132
            2   C1z C    19.0518  -16.3071
            3   C2y C    20.2647  -18.4185
            4   C2b C    21.4904  -16.3136
            5   O1a O    21.4713  -17.7125
            6   C1x C    17.8324  -17.0132
            7   C2x C    19.0518  -19.1115
            8   C1a C    21.4776  -19.1180
            9   C2b C    22.6970  -17.0195
            10  C5x C    17.8324  -18.4185
            11  C2c C    23.9164  -16.3199
            12  O5x O    16.6196  -19.1052
            13  C2b C    25.1229  -17.0323
            14  C1a C    23.9099  -14.9081
            15  C7a C    25.1164  -18.4378
            16  O7a O    26.3165  -19.1309
            17  O6a O    23.8970  -19.1244
            18  C1y C    27.5302  -19.8317
            19  O2x O    27.5302  -21.2332
            20  C1y C    28.7440  -21.9339
            21  C1y C    29.9576  -21.2332
            22  C1y C    29.9576  -19.8317
            23  C1y C    28.7440  -19.1309
            24  C1b C    28.7440  -23.3374
            25  O1a O    27.5245  -24.0414
            26  O1a O    31.1495  -21.9216
            27  O1a O    31.1478  -19.1443
            28  O1a O    28.7440  -17.7315
            29  C1a C    19.7518  -15.0947
            30  C1a C    18.0619  -15.3172
BOND        31
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     1   5 1 #Down
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     6  10 1
            10    9  11 1
            11   10  12 2
            12   11  13 2
            13   11  14 1
            14   13  15 1
            15   15  16 1
            16   15  17 2
            17    7  10 1
            18   18  16 1 #Up
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24   18  23 1
            25   20  24 1 #Up
            26   24  25 1
            27   21  26 1 #Down
            28   22  27 1 #Up
            29   23  28 1 #Down
            30    2  29 1
            31    2  30 1

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