KEGG   COMPOUND: C17607
Entry
C17607                      Compound                               
Name
Kikkanol E
Formula
C15H24O3
Exact mass
252.1725
Mol weight
252.3493
Structure
Other DBs
PubChem: 96023952
ChEBI: 81213
KNApSAcK: C00030614
NIKKAJI: J1.299.914C
LinkDB
KCF data

ATOM        18
            1   C2x C    31.9200  -25.5500
            2   C1x C    31.9200  -26.9500
            3   C1x C    33.1100  -27.6500
            4   C2y C    34.3000  -26.9500
            5   C1x C    34.3000  -25.5500
            6   C2y C    33.1100  -24.8500
            7   C1y C    35.5600  -27.6500
            8   C1y C    36.7500  -26.9500
            9   C1y C    36.7500  -25.5500
            10  C1x C    35.5600  -24.8500
            11  C2a C    34.3000  -28.3500
            12  C1c C    37.9400  -24.8500
            13  C1a C    39.2000  -25.4800
            14  C1a C    37.9400  -23.3800
            15  C4a C    33.1100  -23.4500
            16  O1a O    37.9400  -27.6500
            17  O1a O    35.5600  -29.0500
            18  O4a O    34.3000  -22.7500
BOND        18
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     5   6 1
            5     1   6 2
            6     4   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10    5  10 1
            11    4  11 2
            12    9  12 1 #Up
            13   12  13 1
            14   12  14 1
            15    6  15 1
            16    8  16 1 #Up
            17    7  17 1 #Down
            18   15  18 2

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