KEGG   COMPOUND: C11663Help
Entry
C11663                      Compound                               

Name
Loganin pentaacetate
Formula
C27H36O15
Exact mass
600.2054
Mol weight
600.5657
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Lipids [BR:br08002]
 PR  Prenol Lipids
  PR01 Isoprenoids
   PR0102 C10 isoprenoids (monoterpenes)
    PR010207 Iridoid, 10-alkyliridoid and secoiridoid monoterpenoids
     C11663  Loganin pentaacetate
BRITE hierarchy
Other DBs
CAS: 
20586-11-2
PubChem: 
ChEBI: 
LIPIDMAPS: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        42
            1   C7a C    25.9752  -14.0641
            2   O6a O    26.6733  -12.8587
            3   C1a C    24.5563  -14.0569
            4   O7a O    26.6787  -15.2464
            5   C7a C    24.0881  -18.2314
            6   O7a O    25.3221  -18.9440
            7   O6a O    24.0881  -16.8132
            8   C1a C    22.8574  -18.9447
            9   O2a O    31.3882  -18.1012
            10  C1y C    30.1615  -18.9916
            11  O2x O    28.9552  -18.2714
            12  C1y C    30.1535  -20.3958
            13  C1y C    27.7434  -18.9849
            14  C1y C    28.9397  -21.0800
            15  O7a O    31.3910  -21.0971
            16  C1y C    27.7358  -20.3891
            17  C1b C    26.5322  -18.2653
            18  O7a O    28.9369  -22.4876
            19  O7a O    26.5166  -21.0741
            20  C7a C    32.6253  -21.8002
            21  O6a O    32.6273  -23.2150
            22  C1a C    33.8448  -21.0870
            23  C7a C    28.9410  -23.8969
            24  O6a O    27.7249  -24.6000
            25  C1a C    30.1530  -24.6066
            26  C7a C    25.2880  -21.7847
            27  O6a O    24.0726  -21.0617
            28  C1a C    25.2780  -23.1840
            29  C1y C    31.3762  -16.5801
            30  C1y C    30.1867  -15.8770
            31  C1y C    30.1867  -14.4934
            32  C1y C    28.8689  -16.3021
            33  C2y C    31.3762  -13.8135
            34  C1x C    28.8748  -14.0799
            35  O2x O    32.5765  -15.8770
            36  C1y C    28.0779  -15.1795
            37  C2x C    32.5765  -14.4934
            38  C7a C    31.3705  -12.4415
            39  O7a O    32.5589  -11.7685
            40  O6a O    30.1750  -11.7744
            41  C1a C    33.7413  -12.4415
            42  C1a C    28.1676  -17.5112
BOND        44
            1     1   3 1
            2     1   4 1
            3     1   2 2
            4    12  15 1 #Down
            5    23  25 1
            6    13  16 1
            7    13  17 1 #Up
            8    26  19 1
            9    26  27 2
            10   14  18 1 #Up
            11   26  28 1
            12   16  19 1 #Down
            13   29   9 1 #Up
            14   14  16 1
            15   17   6 1
            16   10   9 1 #Up
            17   10  11 1
            18   10  12 1
            19   11  13 1
            20    5   8 1
            21    5   6 1
            22   20  15 1
            23   20  21 2
            24    5   7 2
            25   20  22 1
            26   12  14 1
            27   30  31 1
            28   30  29 1
            29   30  32 1
            30   31  33 1
            31   31  34 1
            32   29  35 1
            33   32  36 1
            34   33  37 2
            35   33  38 1
            36   38  39 1
            37   38  40 2
            38   39  41 1
            39   34  36 1
            40   35  37 1
            41   23  18 1
            42   36   4 1 #Up
            43   23  24 2
            44   32  42 1 #Up

» Japanese version

DBGET integrated database retrieval system