KEGG   COMPOUND: C09385Help
Entry
C09385                      Compound                               

Name
Cynaropicrin
Formula
C19H22O6
Exact mass
346.1416
Mol weight
346.3744
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Sesquiterpenoids (C15)
   Guaianolide
    C09385  Cynaropicrin
BRITE hierarchy
Other DBs
CAS: 35730-78-0
PubChem: 11576
ChEBI: 4038
ChEMBL: CHEMBL374146
KNApSAcK: C00003243
3DMET: B02919
NIKKAJI: J17.402E
LinkDB All DBs
KCF data Show

ATOM        25
            1   C1y C    23.3236  -15.6285
            2   C1y C    22.4159  -14.5490
            3   C1y C    24.7323  -15.5866
            4   O7x O    22.9235  -16.9838
            5   C1y C    22.6935  -13.1835
            6   C2y C    21.0211  -14.7067
            7   C1y C    25.5739  -14.4601
            8   C2y C    25.2109  -16.9175
            9   C7x C    24.0895  -17.7808
            10  C2y C    23.9436  -12.5297
            11  C1x C    21.4740  -12.4905
            12  C1y C    20.4422  -13.4326
            13  C2a C    20.3261  -15.9181
            14  C1x C    25.2282  -13.0983
            15  O7a O    26.9397  -15.2092
            16  C2a C    26.5511  -17.3088
            17  O6a O    24.0620  -19.1764
            18  C2a C    23.9708  -11.1341
            19  O1a O    19.0715  -13.1521
            20  C7a C    27.9228  -14.5876
            21  C2c C    29.1323  -15.2889
            22  O6a O    27.9228  -13.1910
            23  C2a C    30.3444  -14.5920
            24  C1b C    29.1298  -16.6870
            25  O1a O    27.9176  -17.3839
BOND        27
            1     3   7 1
            2     3   8 1
            3     4   9 1
            4     5  10 1
            5     5  11 1
            6     6  12 1
            7     6  13 2
            8     7  14 1
            9     7  15 1 #Down
            10    8  16 2
            11    9  17 2
            12   10  18 2
            13   12  19 1 #Up
            14    8   9 1
            15   10  14 1
            16   11  12 1
            17    1   2 1
            18    1   3 1
            19   15  20 1
            20   20  21 1
            21   20  22 2
            22    1   4 1
            23   21  23 2
            24    2   5 1
            25   21  24 1
            26    2   6 1
            27   24  25 1

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