KEGG   COMPOUND: C09577
Entry
C09577                      Compound                               
Name
Vernodalol
Formula
C20H24O8
Exact mass
392.1471
Mol weight
392.3998
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Sesquiterpenoids (C15)
   Others
    C09577  Vernodalol
Other DBs
CAS: 65388-17-2
PubChem: 11768
ChEBI: 9960
KNApSAcK: C00003385
3DMET: B03096
NIKKAJI: J20.180D
LinkDB
KCF data

ATOM        28
            1   O7a O    26.9099  -15.1079
            2   C7a C    28.3820  -14.2817
            3   C2c C    29.5717  -14.9667
            4   C1b C    30.7684  -14.2817
            5   O6a O    28.3820  -12.9046
            6   C2a C    29.5717  -16.3507
            7   O1a O    31.9582  -14.9667
            8   C1z C    22.8572  -14.4750
            9   C1y C    22.9213  -15.8622
            10  C1x C    24.0575  -13.7807
            11  C1x C    21.6558  -13.7749
            12  C2b C    22.8455  -13.0936
            13  C1y C    24.0458  -16.5493
            14  C2y C    21.6558  -16.5436
            15  C1y C    25.2532  -14.4867
            16  O7x O    20.4555  -14.4750
            17  C2a C    24.0341  -12.3818
            18  C1y C    25.2472  -15.8739
            19  O1a O    24.0399  -17.9367
            20  C7x C    20.4555  -15.8622
            21  C2a C    21.6617  -17.9308
            22  C2c C    26.4417  -16.5610
            23  O6a O    19.2612  -16.5436
            24  C7a C    26.4939  -18.0380
            25  C2a C    27.4688  -16.0136
            26  O7a O    27.6845  -18.7958
            27  O6a O    25.3125  -18.8007
            28  C1a C    29.0778  -18.0341
BOND        29
            1     2   5 2
            2     2   3 1
            3     3   6 2
            4     1   2 1
            5     4   7 1
            6     3   4 1
            7     8   9 1
            8     8  10 1
            9     8  11 1
            10    8  12 1 #Down
            11    9  13 1
            12    9  14 1
            13   10  15 1
            14   11  16 1
            15   12  17 2
            16   13  18 1
            17   13  19 1 #Down
            18   14  20 1
            19   14  21 2
            20   15   1 1 #Down
            21   18  22 1 #Up
            22   20  23 2
            23   22  24 1
            24   22  25 2
            25   24  26 1
            26   24  27 2
            27   26  28 1
            28   15  18 1
            29   16  20 1

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