KEGG   COMPOUND: C09576
Entry
C09576                      Compound                               
Name
Vernodalin
Formula
C19H20O7
Exact mass
360.1209
Mol weight
360.3579
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Sesquiterpenoids (C15)
   Others
    C09576  Vernodalin
Other DBs
CAS: 21871-10-3
PubChem: 11767
ChEBI: 9959
KNApSAcK: C00003384
3DMET: B03095
NIKKAJI: J15.973E
LinkDB
KCF data

ATOM        26
            1   C1y C    22.9502  -15.8537
            2   C1z C    22.9559  -14.4829
            3   C1y C    24.1285  -16.5489
            4   C2y C    21.7720  -16.5432
            5   C1x C    24.1401  -13.8134
            6   C1x C    21.7720  -13.8075
            7   C2b C    22.9442  -13.1182
            8   C1y C    25.3254  -15.8596
            9   C7x C    20.5892  -15.8537
            10  C2a C    21.7720  -17.9081
            11  C1y C    25.3311  -14.4946
            12  O7x O    20.5892  -14.4829
            13  C2a C    24.1168  -12.4311
            14  O6a O    19.4110  -16.5432
            15  O7a O    26.7995  -15.0220
            16  C7a C    27.9837  -14.3397
            17  C2c C    29.1676  -15.0163
            18  O6a O    27.9780  -12.9690
            19  C1b C    30.3331  -14.3280
            20  C2a C    29.1676  -16.3742
            21  O1a O    31.5170  -15.0046
            22  O7x O    24.4142  -17.9003
            23  C7x C    25.7876  -17.9062
            24  C2y C    26.3508  -16.7850
            25  C2a C    27.4080  -16.5725
            26  O6a O    26.4852  -19.2575
BOND        28
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Down
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    6  12 1
            12    7  13 2
            13    9  14 2
            14   11  15 1 #Down
            15   15  16 1
            16   16  17 1
            17   16  18 2
            18   17  19 1
            19   17  20 2
            20   19  21 1
            21    8  11 1
            22    9  12 1
            23    3  22 1
            24   22  23 1
            25   23  24 1
            26    8  24 1
            27   24  25 2
            28   23  26 2

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