KEGG   COMPOUND: C09797
Entry
C09797                      Compound                               
Name
Plumieride
Formula
C21H26O12
Exact mass
470.1424
Mol weight
470.4239
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Monoterpenoids (C10)
   Iridoids
    C09797  Plumieride
Glycosides [BR:br08021]
 O-glycosides
  Iridoid glycosides
   C09797  Plumieride
Other DBs
CAS: 511-89-7
PubChem: 11985
ChEBI: 8275
KNApSAcK: C00003096
3DMET: B03294
NIKKAJI: J13.997A
LinkDB
KCF data

ATOM        33
            1   C1z C    22.7874  -15.3561
            2   C1y C    24.1222  -14.9247
            3   C2x C    23.2245  -16.6793
            4   C2x C    21.9655  -14.2254
            5   O7x O    21.3943  -15.3561
            6   C1y C    24.1163  -13.5200
            7   C1y C    25.3346  -15.6242
            8   C2y C    22.0938  -17.5012
            9   C2x C    22.7816  -13.0946
            10  C7x C    20.9630  -16.6793
            11  C2y C    25.3346  -12.8206
            12  O2a O    25.3405  -17.0231
            13  O2x O    26.5469  -14.9247
            14  C1c C    22.0938  -18.9059
            15  O6a O    19.6281  -17.1164
            16  C2x C    26.5469  -13.5200
            17  C7a C    25.3405  -11.4159
            18  C1y C    26.5469  -17.7226
            19  C1a C    23.3121  -19.5996
            20  O1a O    20.8813  -19.6053
            21  O7a O    26.5469  -10.7222
            22  O6a O    24.1280  -10.7222
            23  O2x O    26.5411  -19.1215
            24  C1y C    27.7651  -17.0231
            25  C1a C    27.7594  -11.4159
            26  C1y C    27.7535  -19.8268
            27  C1y C    28.9776  -17.7343
            28  O1a O    27.7768  -15.6184
            29  C1y C    28.9717  -19.1332
            30  C1b C    27.7477  -21.2257
            31  O1a O    30.1959  -17.0348
            32  O1a O    30.1842  -19.8384
            33  O1a O    28.9526  -21.9279
BOND        36
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 2
            8     4   9 2
            9     5  10 1
            10    6  11 1
            11    7  12 1 #Up
            12    7  13 1
            13    8  14 1
            14   10  15 2
            15   11  16 2
            16   11  17 1
            17   18  12 1 #Up
            18   14  19 1 #Down
            19   14  20 1
            20   17  21 1
            21   17  22 2
            22   18  23 1
            23   18  24 1
            24   21  25 1
            25   23  26 1
            26   24  27 1
            27   24  28 1 #Down
            28   26  29 1
            29   26  30 1 #Up
            30   27  31 1 #Up
            31   29  32 1 #Down
            32    6   9 1
            33    8  10 1
            34   13  16 1
            35   27  29 1
            36   30  33 1

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