KEGG   COMPOUND: C09117
Entry
C09117                      Compound                               
Name
Isodonal
Formula
C22H28O7
Exact mass
404.1835
Mol weight
404.4535
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Diterpenoids (C20)
   Others
    C09117  Isodonal
Other DBs
CAS: 16964-56-0
PubChem: 11309
ChEBI: 6004
KNApSAcK: C00003443
3DMET: B02694
NIKKAJI: J347.155A
LinkDB
KCF data

ATOM        29
            1   C1z C    24.5716  -16.1460
            2   C1y C    25.7748  -15.4452
            3   C1y C    23.3567  -15.4452
            4   C1y C    24.5716  -17.5602
            5   C1z C    25.7808  -14.0368
            6   C1y C    26.9968  -16.1518
            7   O7x O    23.3567  -14.0368
            8   C1x C    22.1290  -16.1518
            9   C1z C    23.3567  -18.2680
            10  C4a C    25.7865  -18.2621
            11  C1x C    27.0085  -13.3349
            12  C7x C    24.5716  -13.3291
            13  C5x C    26.1503  -12.6692
            14  C1x C    28.2187  -15.4511
            15  O1a O    26.9955  -17.1421
            16  C1x C    22.1349  -17.5602
            17  C1a C    24.0459  -19.4711
            18  C1a C    22.6374  -19.4711
            19  O4a O    25.7808  -19.6706
            20  C1y C    28.2246  -14.0427
            21  O6a O    24.5599  -11.9207
            22  C2y C    27.8502  -12.6750
            23  O5x O    25.4895  -11.5464
            24  C2a C    28.7025  -11.5522
            25  C1b C    25.7882  -16.7828
            26  O7a O    26.4995  -18.0718
            27  C7a C    28.3283  -18.0718
            28  C1a C    29.0325  -19.2973
            29  O6a O    29.0958  -16.9272
BOND        32
            1     2   6 1
            2     3   7 1
            3     3   8 1
            4     4   9 1
            5     4  10 1 #Down
            6     5  11 1
            7     5  12 1
            8     5  13 1 #Down
            9     6  14 1
            10    6  15 1 #Down
            11    8  16 1
            12    9  17 1
            13    9  18 1
            14   10  19 2
            15   11  20 1
            16   12  21 2
            17   13  22 1
            18   13  23 2
            19   22  24 2
            20    7  12 1
            21    9  16 1
            22   14  20 1
            23   20  22 1 #Down
            24    1  25 1 #Down
            25    1   2 1
            26   25  26 1
            27    1   3 1
            28   26  27 1
            29    1   4 1
            30   27  28 1
            31    2   5 1
            32   27  29 2

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