KEGG   COMPOUND: C09487Help
Entry
C09487                      Compound                               

Name
Isotenulin
Formula
C17H22O5
Exact mass
306.1467
Mol weight
306.3536
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Sesquiterpenoids (C15)
   Pseudoguaianolide
    C09487  Isotenulin
BRITE hierarchy
Other DBs
CAS: 10092-04-3
PubChem: 11678
ChEBI: 6064
KNApSAcK: C00003309
3DMET: B03013
NIKKAJI: J14.853I
KCF data Show

ATOM        22
            1   C1y C    24.7975  -15.8264
            2   C1z C    23.4943  -15.3063
            3   C1y C    26.0072  -15.1310
            4   O7a O    25.1540  -17.1707
            5   C1y C    23.0910  -13.9681
            6   C5x C    22.3548  -16.1128
            7   C1a C    23.4827  -16.7031
            8   C1y C    26.2234  -13.7401
            9   C1y C    27.2637  -15.7681
            10  C7a C    24.4644  -18.5145
            11  C1y C    23.8858  -12.8109
            12  C2x C    21.6886  -13.9447
            13  C2x C    21.2327  -15.2714
            14  O5x O    22.3372  -17.5095
            15  C1x C    25.2827  -12.7116
            16  O7x O    27.6143  -13.5181
            17  C7x C    28.2514  -14.7687
            18  C1a C    27.4799  -17.1473
            19  C1a C    25.1657  -19.5842
            20  O6a O    23.0678  -18.4503
            21  C1a C    23.1905  -11.6012
            22  O6a O    29.6364  -14.9850
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Up
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 2
            14    8  15 1
            15    8  16 1
            16    9  17 1
            17    9  18 1 #Down
            18   10  19 1
            19   10  20 2
            20   11  21 1 #Down
            21   17  22 2
            22   11  15 1
            23   12  13 2
            24   16  17 1

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