Ketcher 08201623062D 1   1.00000     0.00000     0

  7  6  0     0  0            999 V2000
   18.9613  -11.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9613  -12.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0952  -10.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0952  -12.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2293  -11.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2293  -12.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8274  -12.6206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0     0  0
  4  2  1  0     0  0
  5  3  1  0     0  0
  6  4  1  0     0  0
  6  5  2  0     0  0
  7  2  1  0     0  0
M  END
> <ID>
CHEBI:28857

> <NAME>
(Z)-hex-3-en-1-ol

> <DEFINITION>
A hex-3-en-1-ol in which the double bond adopts a Z-configuration. Also known as leaf alcohol, it is emitted by green plants upon mechanical damage. Used as a flavourant in tea.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:6398; CHEBI:20029

> <SYNONYM>
Leaf alcohol; cis-3-Hexen-1-ol; Blatteralkohol; 3-Hexen-1-ol, (Z)-; (Z)-3-hexen-1-ol; (3Z)-hex-3-en-1-ol; (3Z)-3-Hexen-1-ol

> <IUPAC_NAME>
(3Z)-hex-3-en-1-ol

> <FORMULA>
C6H12O

> <MASS>
100.159

> <MONOISOTOPIC_MASS>
100.08882

> <CHARGE>
0

> <SMILES>
CC/C=C\CCO

> <INCHI>
InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3-

> <INCHIKEY>
UFLHIIWVXFIJGU-ARJAWSKDSA-N

> <CAS_REGISTRY_NUMBER>
928-96-1

> <REAXYS_REGISTRY_NUMBER>
1719712

> <CHEMIDPLUS>
928-96-1

> <KEGG_COMPOUND_ACCESSION>
C08492

> <KNAPSACK_ACCESSION>
C00000356

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA05000059

> <METACYC_ACCESSION>
CIS-3-HEXENOL

> <NIST_CHEMISTRY_WEBBOOK>
928-96-1

> <WIKIPEDIA_ACCESSION>
Cis-3-Hexen-1-ol

> <AGRICOLA_CITATION>
IND43625196; IND44295090; IND600863761; IND605495882; IND82080126

> <PUBMED_CITATION>
16132223; 21628908; 22714804; 23001219; 23678819; 23749439; 23923622; 24301200; 27717473; 5351709

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