KEGG   COMPOUND: C11662
Entry
C11662                      Compound                               
Name
7-Epiloganin tetraacetate
Formula
C25H34O14
Exact mass
558.1949
Mol weight
558.5291
Structure
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0102 C10 isoprenoids (monoterpenes)
    PR010207 Iridoid, 10-alkyliridoid and secoiridoid monoterpenoids
     C11662  7-Epiloganin tetraacetate
Glycosides [BR:br08021]
 O-glycosides
  Iridoid glycosides
   C11662  7-Epiloganin tetraacetate
Other DBs
PubChem: 13827
ChEBI: 2262
LIPIDMAPS: LMPR0102070029
3DMET: B04295
NIKKAJI: J2.775.764B
LinkDB
KCF data

ATOM        39
            1   C7a C    24.1173  -18.2354
            2   O7a O    25.3510  -18.9480
            3   O6a O    24.1173  -16.8175
            4   C1a C    22.8870  -18.9485
            5   O2a O    31.4157  -18.1051
            6   C1y C    30.1891  -18.9954
            7   O2x O    28.9830  -18.2752
            8   C1y C    30.1811  -20.3994
            9   C1y C    27.7715  -18.9885
            10  C1y C    28.9674  -21.0834
            11  O7a O    31.4184  -21.1005
            12  C1y C    27.7639  -20.3926
            13  C1b C    26.5608  -18.2691
            14  O7a O    28.9647  -22.4903
            15  O7a O    26.5453  -21.0774
            16  C7a C    32.6521  -21.8032
            17  O6a O    32.6541  -23.2177
            18  C1a C    33.8714  -21.0901
            19  C7a C    28.9688  -23.8995
            20  O6a O    27.7532  -24.6024
            21  C1a C    30.1808  -24.6090
            22  C7a C    25.3168  -21.7878
            23  O6a O    24.1019  -21.0649
            24  C1a C    25.3070  -23.1868
            25  C1y C    31.4035  -16.5847
            26  C1y C    30.2126  -15.8750
            27  C1y C    30.2126  -14.4917
            28  C1y C    28.8948  -16.3002
            29  C2y C    31.4018  -13.8120
            30  C1x C    28.9007  -14.0783
            31  O2x O    32.6014  -15.8750
            32  C1y C    28.1040  -15.1777
            33  C2x C    32.6014  -14.4917
            34  C7a C    31.3960  -12.4406
            35  O7a O    32.5838  -11.7677
            36  O6a O    30.2009  -11.7736
            37  C1a C    33.7661  -12.4406
            38  O1a O    26.7074  -15.1684
            39  C1a C    28.1939  -17.5088
BOND        41
            1     8  11 1 #Down
            2    19  21 1
            3     9  12 1
            4     9  13 1 #Up
            5    22  15 1
            6    22  23 2
            7    10  14 1 #Up
            8    22  24 1
            9    12  15 1 #Down
            10   25   5 1 #Up
            11   10  12 1
            12   13   2 1
            13    6   5 1 #Up
            14    6   7 1
            15    6   8 1
            16    7   9 1
            17    1   4 1
            18    1   2 1
            19   16  11 1
            20   16  17 2
            21    1   3 2
            22   16  18 1
            23    8  10 1
            24   26  27 1
            25   26  25 1
            26   26  28 1
            27   27  29 1
            28   27  30 1
            29   25  31 1
            30   28  32 1
            31   29  33 2
            32   29  34 1
            33   34  35 1
            34   34  36 2
            35   35  37 1
            36   30  32 1
            37   31  33 1
            38   19  14 1
            39   32  38 1 #Down
            40   19  20 2
            41   28  39 1 #Up

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