Ketcher 07101800492D 1   1.00000     0.00000     0

 11 10  0     0  0            999 V2000
    4.1250   -2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9910   -3.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9910   -4.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250   -4.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2590   -4.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2590   -3.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250   -5.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8570   -4.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250   -1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9910   -6.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2590   -6.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  1  1  0     0  0
  4  7  2  0     0  0
  3  8  1  0     0  0
  1  9  1  0     0  0
  7 10  1  0     0  0
  7 11  1  0     0  0
M  END
> <ID>
CHEBI:29452

> <NAME>
nerol

> <DEFINITION>
The (2Z)-stereoisomer of 3,7-dimethylocta-2,6-dien-1-ol. It has been isolated from the essential oils from plants like lemon grass.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:7523; CHEBI:24220

> <SYNONYM>
neryl alcohol; nerol; Nerol; cis-geraniol; cis-3,7-dimethyl-2,6-octadien-1-ol; 2-cis-3,7-dimethyl-2,6-octadien-1-ol; (Z)-geraniol; (Z)-3,7-Dimethylocta-2,6-dien-1-ol; (Z)-3,7-dimethyl-2,6-octadien-1-ol; (2Z)-3,7-dimethyl-2,6-octadien-1-ol

> <IUPAC_NAME>
(2Z)-3,7-dimethylocta-2,6-dien-1-ol

> <FORMULA>
C10H18O; C10H18O

> <MASS>
154.250

> <MONOISOTOPIC_MASS>
154.13577

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7-

> <INCHIKEY>
GLZPCOQZEFWAFX-YFHOEESVSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1722455

> <CAS_REGISTRY_NUMBER>
106-25-2

> <REAXYS_REGISTRY_NUMBER>
1722454

> <CHEMIDPLUS>
106-25-2

> <KEGG_COMPOUND_ACCESSION>
C09871

> <KNAPSACK_ACCESSION>
C00000855

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPR0102010010

> <METACYC_ACCESSION>
CPD-7978

> <NIST_CHEMISTRY_WEBBOOK>
106-25-2

> <WIKIPEDIA_ACCESSION>
Nerol

> <PUBMED_CITATION>
23999034; 24269775; 24599108

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