Marvin  01111012042D          

 16 15  0  0  0  0            999 V2000
   -2.2098    2.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9243    1.7973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9243    0.9723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2098    0.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4954    1.7973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2098   -0.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9243   -0.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4954   -0.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2098    3.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7809    2.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0665    1.7973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0665    0.9723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7809    0.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6480    0.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6480   -0.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625   -0.6777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  1  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <ID>
CHEBI:16619

> <NAME>
(2-trans,6-trans)-farnesol

> <DEFINITION>
The (2-trans,6-trans)-stereoisomer of  farnesol.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:19788; CHEBI:11487; CHEBI:1286

> <SYNONYM>
trans-farnesol; trans-Farnesol; trans,trans-farnesol; trans,trans-alpha-farnesol; all-trans-farnesol; 2-trans,6-trans-Farnesol; (E,E)-farnesol; (E)-farnesol; (2E,6E)-farnesol; (2E,6E)-Farnesol; (2E,6E)-farnesol; (2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-ol; (2-trans,6-trans)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol

> <IUPAC_NAME>
(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol

> <FORMULA>
C15H26O

> <MASS>
222.36630

> <MONOISOTOPIC_MASS>
222.19837

> <CHARGE>
0

> <SMILES>
CC(C)=CCC\C(C)=C\CC\C(C)=C\CO

> <INCHI>
InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+

> <INCHIKEY>
CRDAMVZIKSXKFV-YFVJMOTDSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1723039

> <CAS_REGISTRY_NUMBER>
106-28-5

> <GMELIN_REGISTRY_NUMBER>
2210148

> <REAXYS_REGISTRY_NUMBER>
1723039

> <CHEMIDPLUS>
106-28-5

> <KEGG_COMPOUND_ACCESSION>
C01126

> <KNAPSACK_ACCESSION>
C00003132

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPR0103010001

> <METACYC_ACCESSION>
2-TRANS6-TRANS-FARNESOL

> <NIST_CHEMISTRY_WEBBOOK>
106-28-5

$$$$