KEGG   COMPOUND: C08447
Entry
C08447                      Compound                               
Name
Dehydrosafynol;
(2R,11E)-11-Tridecene-3,5,7,9-tetrayne-1,2-diol
Formula
C13H10O2
Exact mass
198.0681
Mol weight
198.22
Structure
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA05 Fatty alcohols
   C08447  Dehydrosafynol
Other DBs
CAS: 1540-85-8
PubChem: 10640
ChEBI: 4370
LIPIDMAPS: LMFA05000649
KNApSAcK: C00001281
NIKKAJI: J2.096.076K
LinkDB
KCF data

ATOM        15
            1   C3b C    25.9088  -19.9557
            2   C3b C    24.5172  -19.9557
            3   C3b C    27.3063  -19.9557
            4   C3b C    23.1256  -19.9557
            5   C3b C    28.6980  -19.9557
            6   C1c C    21.7222  -19.9557
            7   C3b C    30.0896  -19.9557
            8   C1b C    20.5169  -20.6545
            9   O1a O    21.7165  -18.4769
            10  C3b C    31.4812  -19.9557
            11  O1a O    19.3116  -19.9557
            12  C3b C    32.8787  -19.9557
            13  C2b C    34.2704  -19.9557
            14  C2b C    35.4758  -20.6545
            15  C1a C    36.6811  -19.9557
BOND        14
            1     1   2 1
            2     1   3 3
            3     2   4 3
            4     3   5 1
            5     4   6 1
            6     5   7 3
            7     6   8 1
            8     6   9 1 #Down
            9     7  10 1
            10    8  11 1
            11   10  12 3
            12   12  13 1
            13   13  14 2
            14   14  15 1

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