Ketcher 06042111002D 1   1.00000     0.00000     0

 16 15  0     0  0            999 V2000
    6.2996   -5.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1656   -5.2116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0316   -5.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1656   -4.2116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8977   -5.2116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7637   -5.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6297   -5.2116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4958   -5.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3618   -5.2116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2278   -5.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6297   -4.2116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0939   -5.2116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9599   -5.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8259   -5.2116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5939   -4.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5939   -4.3456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  2  4  1  0     0  0
  3  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  2  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
  7 11  1  0     0  0
 10 12  1  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 12 15  1  0     0  0
 12 16  1  0     0  0
M  END
> <ID>
CHEBI:141283

> <NAME>
(6E)-nerolidol

> <DEFINITION>
A nerolidol in which the double bond at position 6 adopts a trans-configuration.

> <STAR>
3

> <SYNONYM>
trans-nerolidol; (E)-nerolidol; (E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol; (6E)-nerolidol

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

> <FORMULA>
C15H26O

> <MASS>
222.372

> <MONOISOTOPIC_MASS>
222.19837

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11+

> <INCHIKEY>
FQTLCLSUCSAZDY-SDNWHVSQSA-N

> <CAS_REGISTRY_NUMBER>
40716-66-3

> <CHEMIDPLUS>
40716-66-3

> <KNAPSACK_ACCESSION>
C00029339

> <METACYC_ACCESSION>
E-nerolidol

> <NIST_CHEMISTRY_WEBBOOK>
40716-66-3

> <AGRICOLA_CITATION>
IND605928773; IND606979241

> <PUBMED_CITATION>
28450026; 31259712; 31755290; 32257238; 32496135; 32858427; 33569782; 33677497; 33742746; 33790242

$$$$