KEGG   COMPOUND: C17914Help
Entry
C17914                      Compound                               

Name
Nootkatone
Formula
C15H22O
Exact mass
218.1671
Mol weight
218.3346
Structure
Mol fileKCF fileDB searchJmolKegDraw
Other DBs
CAS: 
4674-50-4
PubChem: 
KNApSAcK: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        16
            1   C1z C    26.9997  -21.1212
            2   C2y C    26.9997  -22.5198
            3   C1x C    28.2109  -23.2191
            4   C1x C    29.4222  -22.5198
            5   C1y C    29.4222  -21.1212
            6   C1x C    28.2109  -20.4219
            7   C1y C    25.7885  -20.4219
            8   C1x C    24.5772  -21.1212
            9   C5x C    24.5772  -22.5198
            10  C2x C    25.7885  -23.2191
            11  O5x O    23.3474  -23.2301
            12  C2c C    30.6520  -20.4109
            13  C1a C    31.8560  -21.1059
            14  C2a C    30.6517  -19.0234
            15  C1a C    26.9997  -19.7226
            16  C1a C    25.7885  -19.0233
BOND        17
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     1   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    2  10 2
            12    9  11 2
            13    5  12 1 #Down
            14   12  13 1
            15   12  14 2
            16    1  15 1 #Up
            17    7  16 1 #Up

» Japanese version

DBGET integrated database retrieval system