KEGG   COMPOUND: C08453
Entry
C08453                      Compound                               
Name
Lachnophyllum ester;
(E)-2-Decene-4,6-diynoic acid methyl ester
Formula
C11H12O2
Exact mass
176.0837
Mol weight
176.21
Structure
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0710 Short fatty esters
    C08453  Lachnophyllum ester
Other DBs
CAS: 3788-06-5
PubChem: 10646
ChEBI: 6347
LIPIDMAPS: LMFA07010713
KNApSAcK: C00001287
NIKKAJI: J788.365J
LinkDB
KCF data

ATOM        13
            1   C2b C    24.5177  -20.5963
            2   C2b C    25.7286  -19.8918
            3   C7a C    23.3126  -19.8918
            4   C3b C    27.1258  -19.8977
            5   O7a O    22.0958  -20.5963
            6   O6a O    23.3126  -18.4888
            7   C3b C    28.5231  -19.8977
            8   C1a C    20.8850  -19.8918
            9   C3b C    29.9263  -19.8977
            10  C3b C    31.3233  -19.8977
            11  C1b C    32.7148  -19.9034
            12  C1b C    33.9316  -20.6079
            13  C1a C    35.1425  -19.9034
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 1
            12   12  13 1

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