KEGG   COMPOUND: C09638
Entry
C09638                      Compound                               
Name
Cinnamodial
Formula
C17H24O5
Exact mass
308.1624
Mol weight
308.3695
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Sesquiterpenoids (C15)
   Others
    C09638  Cinnamodial
Other DBs
CAS: 23599-45-3
PubChem: 11828
ChEBI: 3711
KNApSAcK: C00003117
3DMET: B03152
NIKKAJI: J16.588C
LinkDB
KCF data

ATOM        22
            1   C1z C    26.7941  -18.0131
            2   C1y C    26.7881  -19.4264
            3   C1z C    28.0206  -17.3057
            4   C1x C    25.5791  -17.3000
            5   C1a C    26.7824  -16.6055
            6   C1y C    28.0089  -20.1266
            7   C1z C    25.5791  -20.1207
            8   C2y C    29.2413  -18.0247
            9   C4a C    29.2354  -16.5938
            10  O1a O    28.0089  -15.8924
            11  C1x C    24.3652  -18.0131
            12  C2x C    29.2354  -19.4321
            13  O7a O    28.0030  -21.5470
            14  C1x C    24.3652  -19.4264
            15  C1a C    26.2747  -21.3414
            16  C1a C    24.8672  -21.3414
            17  C4a C    30.4680  -17.3174
            18  O4a O    29.2296  -15.1864
            19  C7a C    28.7162  -22.7549
            20  O4a O    31.6828  -18.0307
            21  C1a C    28.0089  -23.9698
            22  O6a O    30.1236  -22.7490
BOND        23
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     3  10 1 #Down
            10    4  11 1
            11    6  12 1
            12    6  13 1 #Up
            13    7  14 1
            14    7  15 1
            15    7  16 1
            16    8  17 1
            17    9  18 2
            18   13  19 1
            19   17  20 2
            20   19  21 1
            21   19  22 2
            22    8  12 2
            23   11  14 1

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