KEGG   COMPOUND: C11650
Entry
C11650                      Compound                               
Name
8-Epideoxyloganin tetraacetate
Formula
C25H34O13
Exact mass
542.1999
Mol weight
542.5297
Structure
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0102 C10 isoprenoids (monoterpenes)
    PR010207 Iridoid, 10-alkyliridoid and secoiridoid monoterpenoids
     C11650  8-Epideoxyloganin tetraacetate
Glycosides [BR:br08021]
 O-glycosides
  Iridoid glycosides
   C11650  8-Epideoxyloganin tetraacetate
Other DBs
PubChem: 13815
ChEBI: 2316
LIPIDMAPS: LMPR0102070021
3DMET: B04287
NIKKAJI: J2.775.715D
LinkDB
KCF data

ATOM        38
            1   C7a C    24.1065  -18.3101
            2   O7a O    25.3355  -19.0170
            3   O6a O    24.1065  -16.8965
            4   C1a C    22.8737  -19.0177
            5   O2a O    31.3841  -18.1725
            6   C1y C    30.1693  -19.0645
            7   O2x O    28.9679  -18.3502
            8   C1y C    30.1613  -20.4644
            9   C1y C    27.7539  -19.0506
            10  C1y C    28.9523  -21.1496
            11  O7a O    31.3868  -21.1667
            12  C1y C    27.7463  -20.4505
            13  C1b C    26.5478  -18.3441
            14  O7a O    28.9496  -22.5525
            15  O7a O    26.5322  -21.1436
            16  C7a C    32.6160  -21.8641
            17  O6a O    32.6180  -23.2742
            18  C1a C    33.8378  -21.1565
            19  C7a C    28.9536  -23.9573
            20  O6a O    27.7356  -24.6547
            21  C1a C    30.1610  -24.6613
            22  C7a C    25.3084  -21.8415
            23  O6a O    24.0982  -21.1313
            24  C1a C    25.2985  -23.2431
            25  C1y C    31.3719  -16.6633
            26  C1y C    30.1766  -15.9623
            27  C1y C    30.1766  -14.5795
            28  C1y C    28.8627  -16.3894
            29  C2y C    31.3719  -13.8917
            30  C1x C    28.8627  -14.1597
            31  O2x O    32.5748  -15.9682
            32  C1x C    28.0650  -15.2688
            33  C2x C    32.5748  -14.5795
            34  C7a C    31.3719  -12.5033
            35  O7a O    32.5689  -11.8200
            36  O6a O    30.1766  -11.8083
            37  C1a C    33.7643  -12.5091
            38  C1a C    27.6606  -17.0694
BOND        40
            1    19  20 2
            2     8  11 1 #Down
            3    19  21 1
            4     9  12 1
            5     9  13 1 #Up
            6    22  15 1
            7    22  23 2
            8    10  14 1 #Up
            9    22  24 1
            10   12  15 1 #Down
            11   25   5 1 #Up
            12   10  12 1
            13   13   2 1
            14    6   5 1 #Up
            15    6   7 1
            16    6   8 1
            17    7   9 1
            18    1   4 1
            19    1   2 1
            20   16  11 1
            21   16  17 2
            22    1   3 2
            23   16  18 1
            24    8  10 1
            25   26  27 1
            26   26  25 1
            27   26  28 1
            28   27  29 1
            29   27  30 1
            30   25  31 1
            31   28  32 1
            32   29  33 2
            33   29  34 1
            34   34  35 1
            35   34  36 2
            36   35  37 1
            37   30  32 1
            38   31  33 1
            39   19  14 1
            40   28  38 1 #Down

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