KEGG   COMPOUND: C09066Help
Entry
C09066                      Compound                               

Name
Cafestol
Formula
C20H28O3
Exact mass
316.2038
Mol weight
316.4345
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Diterpenoids (C20)
   Others
    C09066  Cafestol
BRITE hierarchy
Other DBs
CAS: 
469-83-0
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        23
            1   C1z C    25.8474  -15.2684
            2   C1y C    24.6832  -14.5780
            3   C1x C    27.0293  -14.6014
            4   C1x C    25.8474  -16.6199
            5   C1z C    23.5015  -15.2567
            6   C1x C    24.6949  -13.2207
            7   C1y C    27.0410  -13.2383
            8   C1x C    24.6715  -17.2927
            9   C1y C    23.4955  -16.6140
            10  C1x C    22.3313  -14.5780
            11  C1a C    23.4897  -13.8993
            12  C1x C    25.8708  -12.5537
            13  C1x C    21.1495  -15.2567
            14  C8y C    22.3319  -17.2854
            15  C8y C    21.1553  -16.6140
            16  O2x O    20.1532  -17.5254
            17  C8x C    20.7106  -18.7601
            18  C8x C    21.9169  -18.7518
            19  C1x C    27.0534  -15.9626
            20  C1z C    28.2482  -13.9338
            21  C1b C    29.4571  -13.2268
            22  O1a O    30.6660  -13.9266
            23  O1a O    29.4571  -14.9136
BOND        27
            1     5  11 1 #Down
            2     6  12 1
            3     9  14 1
            4    10  13 1
            5     7  12 1
            6     8   9 1
            7    13  15 1
            8     1   2 1
            9     1   3 1
            10    1   4 1
            11    2   5 1
            12   14  15 2
            13   15  16 1
            14   16  17 1
            15   17  18 2
            16   18  14 1
            17    2   6 1
            18    1  19 1 #Up
            19    3   7 1
            20    7  20 1 #Up
            21   19  20 1
            22    4   8 1
            23   20  21 1 #Up
            24    5   9 1
            25   21  22 1
            26    5  10 1
            27   20  23 1 #Down

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