KEGG   COMPOUND: C09354
Entry
C09354                      Compound                               
Name
Canin
Formula
C15H18O5
Exact mass
278.1154
Mol weight
278.3004
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Sesquiterpenoids (C15)
   Guaianolide
    C09354  Canin
Other DBs
CAS: 24959-84-0
PubChem: 11545
ChEBI: 3356
KNApSAcK: C00000238
3DMET: B02891
NIKKAJI: J18.696A
LinkDB
KCF data

ATOM        20
            1   C1z C    24.5943  -13.1643
            2   C1y C    23.3911  -12.4489
            3   C1y C    24.2181  -14.6051
            4   O2x O    24.6153  -11.8303
            5   C1z C    25.8638  -12.5428
            6   C1y C    22.3462  -13.3552
            7   C1z C    22.9656  -14.6431
            8   C1y C    25.1794  -15.6422
            9   C1x C    27.1506  -13.1406
            10  O2x O    21.5066  -14.6292
            11  C1a C    22.1764  -15.8485
            12  C1y C    26.5886  -15.6323
            13  O7x O    24.7502  -16.9919
            14  C1x C    27.4545  -14.5180
            15  C2y C    27.0303  -16.9647
            16  C7x C    25.9000  -17.7972
            17  C2a C    28.3589  -17.3812
            18  O6a O    25.9081  -19.1984
            19  C1a C    26.5480  -11.3364
            20  O1a O    25.4982  -11.1953
BOND        24
            1     1   3 1
            2     1   4 1 #Down
            3     1   5 1
            4     2   6 1
            5     3   7 1
            6     3   8 1
            7     5   9 1
            8     6  10 1
            9     7  11 1 #Up
            10    8  12 1
            11    8  13 1
            12    9  14 1
            13   12  15 1
            14   13  16 1
            15   15  17 2
            16   16  18 2
            17    2   4 1
            18    6   7 1
            19    7  10 1
            20   12  14 1
            21   15  16 1
            22    5  19 1 #Up
            23    1   2 1
            24    5  20 1 #Down

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