KEGG   COMPOUND: C11658
Entry
C11658                      Compound                               
Name
8-Epiiridodial glucoside tetraacetate
Formula
C24H34O11
Exact mass
498.2101
Mol weight
498.5202
Structure
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0102 C10 isoprenoids (monoterpenes)
    PR010207 Iridoid, 10-alkyliridoid and secoiridoid monoterpenoids
     C11658  8-Epiiridodial glucoside tetraacetate
Glycosides [BR:br08021]
 O-glycosides
  Iridoid glycosides
   C11658  8-Epiiridodial glucoside tetraacetate
Other DBs
PubChem: 13823
ChEBI: 2319
LIPIDMAPS: LMPR0102070027
3DMET: B04293
NIKKAJI: J2.775.763D
LinkDB
KCF data

ATOM        35
            1   C7a C    24.1565  -17.9326
            2   O7a O    25.3846  -18.6387
            3   O6a O    24.1565  -16.5200
            4   C1a C    22.9248  -18.6393
            5   O2a O    31.4276  -17.8022
            6   C1y C    30.2139  -18.6863
            7   O2x O    29.0137  -17.9726
            8   C1y C    30.2059  -20.0849
            9   C1y C    27.8007  -18.6724
            10  C1y C    28.9982  -20.7695
            11  O7a O    31.4304  -20.7866
            12  C1y C    27.7931  -20.0710
            13  C1b C    26.5958  -17.9665
            14  O7a O    28.9954  -22.1712
            15  O7a O    26.5802  -20.7636
            16  C7a C    32.6587  -21.4832
            17  O6a O    32.6607  -22.8922
            18  C1a C    33.8792  -20.7765
            19  C7a C    28.9995  -23.5746
            20  O6a O    27.7822  -24.2715
            21  C1a C    30.2054  -24.2782
            22  C7a C    25.3575  -21.4607
            23  O6a O    24.1480  -20.7512
            24  C1a C    25.3475  -22.8612
            25  C1y C    31.4156  -16.2871
            26  C1y C    30.2215  -15.5836
            27  C1y C    30.2215  -14.2020
            28  C1y C    28.9090  -15.9961
            29  C2y C    31.4161  -13.5148
            30  C1x C    28.9090  -13.7826
            31  O2x O    32.6176  -15.5895
            32  C1x C    28.1119  -14.8905
            33  C1a C    27.7215  -16.6961
            34  C2x C    32.6176  -14.2020
            35  C1a C    31.4161  -12.1275
BOND        37
            1     8  10 1
            2    19  14 1
            3    19  20 2
            4     8  11 1 #Down
            5    19  21 1
            6     9  12 1
            7     9  13 1 #Up
            8    22  15 1
            9    22  23 2
            10   10  14 1 #Up
            11   22  24 1
            12   12  15 1 #Down
            13   25   5 1 #Up
            14   10  12 1
            15   13   2 1
            16    6   5 1 #Up
            17    6   7 1
            18    6   8 1
            19    7   9 1
            20    1   4 1
            21    1   2 1
            22   16  11 1
            23   16  17 2
            24    1   3 2
            25   16  18 1
            26   26  27 1
            27   26  25 1
            28   26  28 1
            29   27  29 1
            30   27  30 1
            31   25  31 1
            32   28  32 1
            33   28  33 1 #Down
            34   29  34 2
            35   29  35 1
            36   30  32 1
            37   31  34 1

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