KEGG   COMPOUND: C08452
Entry
C08452                      Compound                               
Name
Ichthyotherol;
2H-Pyran-3-ol, tetrahydro-2-(1-nonene-3,5,7-triynyl)-, (2S-(2alpha(E),3beta))-
Formula
C14H14O2
Exact mass
214.0994
Mol weight
214.2598
Structure
Other DBs
CAS: 2294-61-3
PubChem: 10645
ChEBI: 5861
KNApSAcK: C00001286
NIKKAJI: J17.225A
LinkDB
KCF data

ATOM        16
            1   C1y C    24.9766  -20.2192
            2   C1y C    24.9766  -21.6184
            3   O2x O    23.7173  -19.5196
            4   C2b C    26.1660  -19.5196
            5   C1x C    23.7173  -22.3181
            6   O1a O    26.1660  -22.3181
            7   C1x C    22.5280  -20.2192
            8   C2b C    27.3554  -20.2192
            9   C1x C    22.5280  -21.6184
            10  C3b C    28.5447  -19.5196
            11  C3b C    29.8041  -18.8199
            12  C3b C    30.9934  -18.1203
            13  C3b C    32.1828  -17.4207
            14  C3b C    33.4421  -16.7211
            15  C3b C    34.6546  -16.0211
            16  C1a C    35.8670  -15.3211
BOND        16
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     4   8 2
            8     5   9 1
            9     8  10 1
            10   10  11 3
            11   11  12 1
            12   12  13 3
            13   13  14 1
            14    7   9 1
            15   14  15 3
            16   15  16 1

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