KEGG   COMPOUND: C09846
Entry
C09846                      Compound                               
Name
Cinerin II
Formula
C21H28O5
Exact mass
360.1937
Mol weight
360.444
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Monoterpenoids (C10)
   Others
    C09846  Cinerin II
Other DBs
CAS: 121-20-0
PubChem: 12033
ChEBI: 3707
KNApSAcK: C00003034
3DMET: B03318
NIKKAJI: J108.003B
LinkDB
KCF data

ATOM        26
            1   C1y C    22.3968  -16.5839
            2   C1y C    23.8011  -16.5722
            3   C1z C    23.0930  -15.3553
            4   C2b C    21.1856  -15.8818
            5   C7a C    25.0123  -15.8760
            6   C1a C    22.3851  -14.1441
            7   C1a C    23.7894  -14.1441
            8   C2c C    19.9744  -16.5782
            9   O7a O    26.2175  -16.5722
            10  O6a O    25.0123  -14.4717
            11  C1a C    19.9686  -17.9824
            12  C7a C    18.7692  -15.8818
            13  C1y C    27.4346  -15.8760
            14  C2y C    28.8330  -15.8760
            15  C1x C    27.0016  -14.5420
            16  C2y C    29.2718  -14.5420
            17  C1a C    29.6580  -17.0053
            18  C5x C    28.1366  -13.7170
            19  C1b C    30.4772  -13.8398
            20  O5x O    28.1366  -12.3185
            21  C2b C    31.6824  -14.5360
            22  C2b C    32.8936  -13.8398
            23  O7a O    17.5564  -16.5761
            24  C1a C    16.3475  -15.8762
            25  O6a O    18.7719  -14.4819
            26  C1a C    32.8962  -12.4400
BOND        27
            1     2   5 1 #Down
            2     3   6 1
            3     3   7 1
            4     4   8 2
            5     5   9 1
            6     5  10 2
            7     8  11 1
            8     8  12 1
            9    13   9 1 #Up
            10   13  14 1
            11   13  15 1
            12   14  16 2
            13   14  17 1
            14   15  18 1
            15   16  19 1
            16   18  20 2
            17   19  21 1
            18   21  22 2
            19    2   3 1
            20   16  18 1
            21   12  23 1
            22    1   2 1
            23   23  24 1
            24    1   3 1
            25   12  25 2
            26    1   4 1 #Up
            27   22  26 1

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