KEGG   COMPOUND: C09783
Entry
C09783                      Compound                               
Name
Harpagoside
Formula
C24H30O11
Exact mass
494.1788
Mol weight
494.4884
Structure
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0102 C10 isoprenoids (monoterpenes)
    PR010207 Iridoid, 10-alkyliridoid and secoiridoid monoterpenoids
     C09783  Harpagoside
Phytochemical compounds [BR:br08003]
 Terpenoids
  Monoterpenoids (C10)
   Iridoids
    C09783  Harpagoside
Glycosides [BR:br08021]
 O-glycosides
  Iridoid glycosides
   C09783   Harpagoside
Other DBs
CAS: 19210-12-9
PubChem: 11971
ChEBI: 5625
LIPIDMAPS: LMPR0102070010
KNApSAcK: C00003083
3DMET: B03280
NIKKAJI: J16.076H
LinkDB
KCF data

ATOM        35
            1   O2a O    29.8355  -16.8291
            2   C1y C    28.5316  -17.7696
            3   O2x O    27.3201  -17.0864
            4   C1y C    28.5442  -19.1593
            5   C1y C    26.1339  -17.7934
            6   C1y C    27.3498  -19.8685
            7   O1a O    29.7626  -19.8426
            8   C1y C    26.1412  -19.1801
            9   C1b C    24.9222  -17.1099
            10  O1a O    27.3623  -21.2583
            11  O1a O    24.9469  -19.8892
            12  O1a O    23.7273  -17.8139
            13  C1y C    28.5954  -14.5427
            14  C1z C    28.6597  -13.1618
            15  C1z C    27.2846  -14.9676
            16  C1y C    29.8025  -15.2420
            17  C1y C    27.2729  -12.7300
            18  C2x C    29.8025  -12.4625
            19  O1a O    28.7239  -11.7749
            20  C1x C    26.4687  -13.8551
            21  O7a O    25.9328  -15.3224
            22  C1a C    26.8529  -16.2202
            23  O2x O    31.0025  -14.5544
            24  O1a O    27.2787  -11.3431
            25  C2x C    31.0025  -13.1618
            26  C7a C    24.7328  -14.6290
            27  C2b C    23.5388  -15.3224
            28  O6a O    24.7328  -13.2422
            29  C2b C    22.3317  -14.6290
            30  C8y C    21.1317  -15.3224
            31  C8x C    19.9258  -14.6290
            32  C8x C    21.1375  -16.7152
            33  C8x C    18.7187  -15.3224
            34  C8x C    19.9316  -17.4143
            35  C8x C    18.7187  -16.7152
BOND        38
            1     9  12 1
            2     2   1 1 #Up
            3     2   3 1
            4     2   4 1
            5     3   5 1
            6     4   6 1
            7     4   7 1 #Down
            8     5   8 1
            9     5   9 1 #Up
            10    6  10 1 #Up
            11    8  11 1 #Down
            12    6   8 1
            13   13  14 1
            14   13  15 1
            15   13  16 1
            16   14  17 1
            17   14  18 1
            18   14  19 1 #Up
            19   15  20 1
            20   15  21 1 #Up
            21   15  22 1 #Down
            22   16  23 1
            23   17  24 1 #Up
            24   18  25 2
            25   21  26 1
            26   26  27 1
            27   26  28 2
            28   27  29 2
            29   29  30 1
            30   30  31 2
            31   30  32 1
            32   31  33 1
            33   32  34 2
            34   33  35 2
            35   17  20 1
            36   23  25 1
            37   34  35 1
            38   16   1 1 #Up

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