ACD/Labs02282416192D

 24 23  0  0  0  0  0  0  0  0  1 V2000
   24.5251  -10.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3726  -11.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6778  -11.2354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5251   -9.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2200  -10.5758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8304  -10.5649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0728  -11.2465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9829  -11.2244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9258  -10.5815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1246  -10.5592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7731  -11.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9203   -9.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2773  -11.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1246   -9.2239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3153  -10.5979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1628  -11.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4680  -11.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3153   -9.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0101  -10.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6206  -10.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8630  -11.2740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7160  -10.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5633  -11.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7105   -9.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 11  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
> <ID>
CHEBI:229666

> <NAME>
geranylgeranyl acetate

> <DEFINITION>
An acetate ester obtained by the formal condensation of acetic acid with (E,E,E)-geranylgeraniol.

> <STAR>
3

> <SYNONYM>
all-trans-geranylgeranyl acetate; 3,7,11,15-tetramethyl-2E,6E,10E,14-hexadecatetraenyl acetate; (2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl acetate

> <IUPAC_NAME>
(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl acetate

> <FORMULA>
C22H36O2

> <MASS>
332.528

> <MONOISOTOPIC_MASS>
332.27153

> <CHARGE>
0

> <SMILES>
CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COC(C)=O

> <INCHI>
InChI=1S/C22H36O2/c1-18(2)10-7-11-19(3)12-8-13-20(4)14-9-15-21(5)16-17-24-22(6)23/h10,12,14,16H,7-9,11,13,15,17H2,1-6H3/b19-12+,20-14+,21-16+

> <INCHIKEY>
NHYSRKKHKHCRGR-RFRQLJORSA-N

> <CAS_REGISTRY_NUMBER>
61691-98-3

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA07010351

> <NIST_CHEMISTRY_WEBBOOK>
61691-98-3

> <PUBMED_CITATION>
11382068; 16839173; 17193334; 17924309; 19730955; 28695826; 32505743; 36277209; 6047693

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