KEGG   COMPOUND: C09784Help
Entry
C09784                      Compound                               

Name
Ipolamiide
Formula
C17H26O11
Exact mass
406.1475
Mol weight
406.3817
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Monoterpenoids (C10)
   Iridoids
    C09784  Ipolamiide
BRITE hierarchy
Other DBs
CAS: 27934-98-1
PubChem: 11972
ChEBI: 5954
KNApSAcK: C00003084
3DMET: B03281
NIKKAJI: J39.991D
KCF data Show

ATOM        28
            1   O2a O    26.6883  -17.4010
            2   C1y C    25.4908  -18.2765
            3   O2x O    24.2998  -17.5710
            4   C1y C    25.4829  -19.6584
            5   C1y C    23.1032  -18.2626
            6   C1y C    24.2842  -20.3347
            7   O1a O    26.6910  -20.3518
            8   C1y C    23.0956  -19.6445
            9   C1b C    21.9074  -17.5649
            10  O1a O    24.2815  -21.7197
            11  O1a O    21.8919  -20.3288
            12  O1a O    20.7172  -18.2513
            13  C1y C    25.4589  -15.1213
            14  C1z C    25.4705  -13.7425
            15  C1y C    26.6770  -15.8071
            16  C1z C    24.1499  -15.5343
            17  C2y C    26.6770  -13.0434
            18  C1x C    24.1616  -13.3117
            19  O1a O    25.4589  -12.3635
            20  O2x O    27.8577  -15.1272
            21  C1x C    23.3473  -14.4107
            22  C1a C    23.3708  -16.8243
            23  O1a O    22.6718  -15.6250
            24  C2x C    27.8577  -13.7425
            25  C7a C    26.6770  -11.6644
            26  O7a O    27.8634  -10.9786
            27  O6a O    25.4646  -10.9786
            28  C1a C    29.0558  -11.6644
BOND        30
            1     4   6 1
            2     4   7 1 #Down
            3     5   8 1
            4     5   9 1 #Up
            5     6  10 1 #Up
            6     8  11 1 #Down
            7     6   8 1
            8     9  12 1
            9     2   1 1 #Up
            10    2   3 1
            11    2   4 1
            12    3   5 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   16  21 1
            21   16  22 1 #Down
            22   16  23 1 #Up
            23   17  24 2
            24   17  25 1
            25   25  26 1
            26   25  27 2
            27   26  28 1
            28   18  21 1
            29   20  24 1
            30   15   1 1 #Up

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