KEGG   COMPOUND: C09582Help
Entry
C09582                      Compound                               

Name
Vernolepin
Formula
C15H16O5
Exact mass
276.0998
Mol weight
276.2845
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Sesquiterpenoids (C15)
   Others
    C09582  Vernolepin
BRITE hierarchy
Other DBs
CAS: 18542-37-5
PubChem: 11773
ChEBI: 9963
ChEMBL: CHEMBL290210
KNApSAcK: C00000310
3DMET: B03101
NIKKAJI: J15.497K
LinkDB All DBs
KCF data Show

ATOM        20
            1   C1y C    24.8151  -15.8316
            2   C1z C    24.8208  -14.4725
            3   C1y C    25.9876  -16.5142
            4   C2y C    23.6483  -16.5083
            5   C1x C    25.9992  -13.7958
            6   C1x C    23.6483  -13.7899
            7   C2b C    24.8091  -13.1075
            8   C1y C    27.1718  -15.8375
            9   C7x C    22.4641  -15.8316
            10  C2a C    23.6483  -17.8733
            11  C1y C    27.1775  -14.4783
            12  O7x O    22.4641  -14.4725
            13  C2a C    25.9759  -12.4191
            14  O6a O    21.2858  -16.5083
            15  O1a O    28.3617  -13.8075
            16  O7x O    26.2652  -17.8496
            17  C7x C    27.6210  -17.8582
            18  C2y C    28.1813  -16.7547
            19  C2a C    29.5844  -16.4634
            20  O6a O    28.3189  -19.2199
BOND        22
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Down
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    6  12 1
            12    7  13 2
            13    9  14 2
            14   11  15 1 #Down
            15    8  11 1
            16    9  12 1
            17    3  16 1
            18   16  17 1
            19   17  18 1
            20    8  18 1
            21   18  19 2
            22   17  20 2

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