KEGG   COMPOUND: C08558
Entry
C08558                      Compound                               

Name
Tuberonic acid glucoside
Formula
C18H28O9
Exact mass
388.1733
Mol weight
388.4095
Structure
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA13 Fatty acyl glycosides
   FA1301 Fatty acyl glycosides of mono- and disaccharides
    C08558  Tuberonic acid glucoside
Other DBs
CAS: 120399-24-8
PubChem: 10751
ChEBI: 37419
LIPIDMAPS: LMFA13010032
KNApSAcK: C00001326
NIKKAJI: J759.874B
KCF data

ATOM        27
            1   C1y C    29.8143  -16.0592
            2   C1y C    29.8260  -17.4183
            3   C5x C    30.9343  -15.5050
            4   C1b C    28.4958  -15.3708
            5   C1x C    31.1618  -17.6984
            6   C1b C    28.6359  -18.5909
            7   C1x C    31.8502  -16.5200
            8   O5x O    31.2202  -14.1574
            9   C2b C    27.3059  -16.0592
            10  C6a C    27.4577  -17.9083
            11  C2b C    25.6200  -16.0533
            12  O6a O    26.0867  -18.6843
            13  O6a O    27.4750  -16.8117
            14  C1b C    24.3833  -15.2483
            15  C1b C    23.0767  -15.9134
            16  O2a O    21.8517  -15.1199
            17  C1y C    20.4750  -15.7733
            18  O2x O    19.3082  -15.0966
            19  C1y C    20.4750  -17.1266
            20  C1y C    18.1416  -15.7733
            21  C1y C    19.3082  -17.7859
            22  O1a O    21.6416  -17.7859
            23  C1y C    18.1416  -17.1266
            24  C1b C    16.9806  -15.0966
            25  O1a O    19.3141  -19.1333
            26  O1a O    16.9806  -17.7859
            27  O1a O    15.8140  -15.7675
BOND        28
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     6  10 1
            10    9  11 2
            11   10  12 1
            12   10  13 2
            13   11  14 1
            14   14  15 1
            15   15  16 1
            16   17  16 1 #Up
            17   17  18 1
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21   19  22 1 #Down
            22   20  23 1
            23   20  24 1 #Up
            24   21  25 1 #Up
            25   23  26 1 #Down
            26   24  27 1
            27    5   7 1
            28   21  23 1

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