KEGG   COMPOUND: C09709Help
Entry
C09709                      Compound                               

Name
Phytuberin
Formula
C17H26O4
Exact mass
294.1831
Mol weight
294.3859
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Sesquiterpenoids (C15)
   Others
    C09709  Phytuberin
BRITE hierarchy
Other DBs
CAS: 37209-50-0
PubChem: 11898
ChEBI: 8196
KNApSAcK: C00003172
3DMET: B03213
NIKKAJI: J18.390C
KCF data Show

ATOM        21
            1   C1z C    25.7502  -19.8217
            2   C1z C    25.7560  -18.4116
            3   C1z C    24.4217  -20.2470
            4   C1x C    26.9797  -20.5209
            5   O2x O    26.4960  -21.2379
            6   C1x C    24.4217  -17.9862
            7   C1x C    26.9797  -17.7182
            8   C1a C    25.7443  -17.0074
            9   O2x O    23.6059  -19.1225
            10  C2x C    24.4158  -21.6398
            11  C1a C    23.0582  -20.6083
            12  C1y C    28.1859  -19.8160
            13  C2x C    25.7385  -22.0826
            14  C1x C    28.1859  -18.4116
            15  C1d C    29.3920  -20.5093
            16  O7a O    30.6040  -19.8100
            17  C1a C    29.4084  -21.9898
            18  C1a C    29.3861  -19.1108
            19  C7a C    31.8161  -20.5035
            20  C1a C    33.0280  -19.7984
            21  O6a O    31.8161  -21.9078
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     2   8 1 #Up
            8     3   9 1
            9     3  10 1
            10    3  11 1 #Down
            11    4  12 1
            12    5  13 1
            13    7  14 1
            14   12  15 1
            15   15  16 1
            16   15  17 1
            17   15  18 1
            18   16  19 1
            19   19  20 1
            20   19  21 2
            21    6   9 1
            22   10  13 2
            23   12  14 1

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