KEGG   COMPOUND: C09439
Entry
C09439                      Compound                               
Name
Eupatocunoxin
Formula
C22H28O8
Exact mass
420.1784
Mol weight
420.45
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Sesquiterpenoids (C15)
   Germacrenes
    C09439  Eupatocunoxin
Other DBs
CAS: 39204-36-9
PubChem: 11630
ChEBI: 4934
KNApSAcK: C00003276
NIKKAJI: J2.769.846H
LinkDB
KCF data

ATOM        30
            1   C1z C    30.5900  -13.0900
            2   C1y C    31.9900  -13.0900
            3   O2x O    31.2900  -14.2800
            4   C1a C    29.6100  -12.2500
            5   C1a C    32.9700  -12.3200
            6   C7a C    29.2600  -14.0000
            7   O7a O    27.9300  -13.3000
            8   O6a O    29.2600  -15.1200
            9   C1y C    25.8300  -16.5900
            10  C1y C    24.5000  -16.9400
            11  C1y C    26.5300  -15.4700
            12  C2y C    26.5300  -17.7800
            13  C2x C    22.7500  -16.3800
            14  O7x O    24.5000  -18.3400
            15  C1y C    26.5300  -14.0700
            16  C7x C    25.6900  -18.8300
            17  C2a C    27.9300  -17.7800
            18  C2y C    21.7700  -15.4000
            19  C2y C    25.3400  -13.3700
            20  O6a O    26.0400  -20.1600
            21  C1y C    21.7700  -14.0700
            22  C1a C    20.4400  -16.1000
            23  C2x C    24.1500  -14.0700
            24  C1a C    25.3400  -11.9700
            25  C1x C    22.9600  -13.3700
            26  O7a O    20.5800  -13.3700
            27  C7a C    19.3900  -14.0000
            28  C1a C    18.2000  -13.3700
            29  O6a O    19.3900  -15.0500
            30  O1a O    28.0700  -16.1700
BOND        32
            1     7   6 1
            2     6   8 2
            3     1   4 1 #Down
            4     1   2 1
            5     2   5 1 #Up
            6     1   3 1
            7     1   6 1 #Up
            8     9  10 1
            9     9  11 1
            10    9  12 1
            11   10  13 1
            12   10  14 1
            13   11  15 1
            14   12  16 1
            15   12  17 2
            16   13  18 2
            17   15  19 1
            18   16  20 2
            19   18  21 1
            20   18  22 1
            21   19  23 2
            22   19  24 1
            23   21  25 1
            24   21  26 1 #Up
            25   26  27 1
            26   27  28 1
            27   27  29 2
            28   14  16 1
            29   23  25 1
            30   15   7 1
            31    3   2 1
            32   11  30 1

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