KEGG   COMPOUND: C09579
Entry
C09579                      Compound                               
Name
Vernoflexuoside
Formula
C21H28O8
Exact mass
408.1784
Mol weight
408.4422
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Sesquiterpenoids (C15)
   Guaianolide
    C09579  Vernoflexuoside
Other DBs
CAS: 57576-33-7
PubChem: 11770
ChEBI: 9962
KNApSAcK: C00003387
3DMET: B03098
NIKKAJI: J14.153D
LinkDB
KCF data

ATOM        29
            1   C1y C    28.5639  -14.9384
            2   C1y C    29.4171  -16.0614
            3   C1y C    28.9074  -13.5890
            4   C2y C    27.1837  -15.0232
            5   C1y C    30.8247  -16.0161
            6   O7x O    28.9600  -17.3915
            7   C1x C    27.7298  -12.8406
            8   C2y C    30.1844  -12.9999
            9   C1y C    26.6664  -13.7336
            10  C2a C    26.4457  -16.2032
            11  C2y C    31.2350  -17.4309
            12  C1x C    31.7197  -14.9968
            13  C7x C    30.0859  -18.2314
            14  C1x C    31.4399  -13.6245
            15  C2a C    30.1421  -11.6082
            16  O2a O    25.1445  -12.9075
            17  C2a C    32.5472  -17.8758
            18  O6a O    30.1281  -19.6230
            19  C1y C    23.6225  -13.6812
            20  O2x O    22.4156  -12.9937
            21  C1y C    23.6225  -15.0749
            22  C1y C    21.2145  -13.6870
            23  C1y C    22.4214  -15.7753
            24  O1a O    24.8298  -15.7695
            25  C1y C    21.2145  -15.0808
            26  C1b C    20.0074  -12.9996
            27  O1a O    22.4214  -17.1693
            28  O1a O    20.0131  -15.7812
            29  O1a O    18.8078  -13.6956
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    8  14 1
            14    8  15 2
            15    9  16 1 #Up
            16   11  17 2
            17   13  18 2
            18    7   9 1
            19   11  13 1
            20   12  14 1
            21   19  16 1 #Up
            22   19  20 1
            23   19  21 1
            24   20  22 1
            25   21  23 1
            26   21  24 1 #Down
            27   22  25 1
            28   22  26 1 #Up
            29   23  27 1 #Up
            30   25  28 1 #Down
            31   23  25 1
            32   26  29 1

» Japanese version

DBGET integrated database retrieval system