KEGG   COMPOUND: C10598Help
Entry
C10598                      Compound                               

Name
Himbacine
Formula
C22H35NO2
Exact mass
345.2668
Mol weight
345.5188
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 6879-74-9
PubChem: 12781
ChEBI: 5720
ChEMBL: CHEMBL318849
KNApSAcK: C00002343
3DMET: B03989
NIKKAJI: J14.858J
LinkDB All DBs
KCF data Show

ATOM        25
            1   C1y C    29.2541  -21.5189
            2   C1y C    28.0351  -20.8131
            3   C1y C    29.2367  -22.9187
            4   C1y C    30.5898  -21.1106
            5   C1y C    26.8161  -21.5073
            6   C2b C    28.0351  -19.4135
            7   C1x C    28.0234  -23.6186
            8   C7x C    30.5605  -23.3735
            9   O7x O    31.3945  -22.2538
            10  C1a C    31.2837  -19.8859
            11  C1y C    26.8104  -22.9128
            12  C1x C    25.6088  -20.8131
            13  C2b C    29.2424  -18.7077
            14  O6a O    31.2487  -24.5808
            15  C1x C    25.6088  -23.6127
            16  C1x C    24.3898  -21.5073
            17  C1y C    29.2424  -17.3138
            18  C1x C    24.3898  -22.9128
            19  N1y N    30.4497  -16.6080
            20  C1x C    28.0234  -16.6256
            21  C1y C    30.4440  -15.2084
            22  C1a C    31.6628  -17.3079
            23  C1x C    28.0177  -15.2199
            24  C1x C    29.2307  -14.5085
            25  C1a C    31.6453  -14.4909
BOND        28
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     4  10 1 #Down
            10    5  11 1
            11    5  12 1
            12    6  13 2
            13    8  14 2
            14   11  15 1
            15   12  16 1
            16   13  17 1
            17   15  18 1
            18   17  19 1
            19   17  20 1
            20   19  21 1
            21   19  22 1
            22   20  23 1
            23   21  24 1
            24   21  25 1 #Up
            25    7  11 1
            26    8   9 1
            27   16  18 1
            28   23  24 1

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