KEGG   COMPOUND: C08446
Entry
C08446                      Compound                               
Name
(E)-Dehydromatricaria ester;
trans-Dehydromatricaria ester;
(E)-2-Decene-4,6,8-triynoic acid methyl ester
Formula
C11H8O2
Exact mass
172.0524
Mol weight
172.18
Structure
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0710 Short fatty esters
    C08446  (E)-Dehydromatricaria ester
Other DBs
CAS: 692-94-4
PubChem: 10639
ChEBI: 4366
LIPIDMAPS: LMFA07010935
KNApSAcK: C00001280
NIKKAJI: J1.603.412F J79.788J
KCF data

ATOM        13
            1   C2b C    24.3263  -20.5881
            2   C2b C    25.5438  -19.8858
            3   C7a C    23.1147  -19.8917
            4   C3b C    26.9425  -19.8858
            5   O7a O    21.9032  -20.5881
            6   O6a O    23.1147  -18.4930
            7   C3b C    28.3472  -19.8800
            8   C1a C    20.6917  -19.8917
            9   C3b C    29.7460  -19.8742
            10  C3b C    31.1449  -19.8683
            11  C3b C    32.5437  -19.8683
            12  C3b C    33.9483  -19.8625
            13  C1a C    35.3471  -19.8566
BOND        12
            1     1   2 2
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     3   6 2
            6     4   7 3
            7     5   8 1
            8     7   9 1
            9     9  10 3
            10   10  11 1
            11   11  12 3
            12   12  13 1

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Chemical substance (7)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   KNApSAcK (1)   
   LIPIDMAPS (1)   
   NIKKAJI (2)   
All databases (7)   

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