KEGG   COMPOUND: C09712Help
Entry
C09712                      Compound                               

Name
Polygodial
Formula
C15H22O2
Exact mass
234.162
Mol weight
234.334
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Sesquiterpenoids (C15)
   Farnesenes
    C09712  Polygodial
BRITE hierarchy
Other DBs
CAS: 6754-20-7
PubChem: 11901
ChEBI: 8305
ChEMBL: CHEMBL254550
KNApSAcK: C00003175
3DMET: B03216
NIKKAJI: J20.540K
LinkDB All DBs
KCF data Show

ATOM        17
            1   C1z C    26.7990  -19.2797
            2   C1y C    26.7931  -20.6781
            3   C1y C    28.0168  -18.5804
            4   C1x C    25.5870  -18.5745
            5   C1a C    26.7874  -17.8753
            6   C1x C    28.0052  -21.3831
            7   C1z C    25.5870  -21.3772
            8   C2y C    29.2287  -19.2913
            9   C4a C    28.0226  -17.1761
            10  C1x C    24.3808  -19.2797
            11  C2x C    29.2930  -20.6896
            12  C1x C    24.3808  -20.6781
            13  C1a C    26.2804  -22.6592
            14  C1a C    24.8761  -22.6592
            15  C4a C    30.4466  -18.5921
            16  O4a O    29.2287  -16.4711
            17  O4a O    31.6527  -19.2913
BOND        18
            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     4  10 1
            10    6  11 1
            11    7  12 1
            12    7  13 1
            13    7  14 1
            14    8  15 1
            15    9  16 2
            16   15  17 2
            17    8  11 2
            18   10  12 1

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