ChEBI


 10 10  0  0  0  0  0  0  0  0  1 V2000
   12.2727   -7.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2727   -8.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1209   -6.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1209   -9.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9691   -7.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9691   -8.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1209   -5.4182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1209  -10.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2727  -11.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9691  -11.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
M  END
> <ID>
CHEBI:10334

> <NAME>
alpha-terpinene

> <DEFINITION>
One of three isomeric monoterpenes differing in the positions of their two double bonds (β- and γ-terpinene being the others). In α-terpinene the  double bonds are at the 1- and 3-positions of the p-menthane skeleton.

> <STAR>
3

> <SYNONYM>
Terpilene; p-Mentha-1,3-diene; Alpha-terpinene; alpha-Terpinene; 1-Methyl-4-(1-methylethyl)-1,3-cyclohexadiene; 1-isopropyl-4-methyl-1,3-cyclohexadiene

> <IUPAC_NAME>
1-methyl-4-(propan-2-yl)cyclohexa-1,3-diene

> <FORMULA>
C10H16

> <MASS>
136.23404

> <MONOISOTOPIC_MASS>
136.12520

> <CHARGE>
0

> <SMILES>
CC(C)C1=CC=C(C)CC1

> <INCHI>
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3

> <INCHIKEY>
YHQGMYUVUMAZJR-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1853379

> <CAS_REGISTRY_NUMBER>
99-86-5

> <REAXYS_REGISTRY_NUMBER>
1853379

> <CHEMIDPLUS>
99-86-5

> <KEGG_COMPOUND_ACCESSION>
C09898

> <KNAPSACK_ACCESSION>
C00003060

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPR0102090026

> <WIKIPEDIA_ACCESSION>
Terpinene

> <PUBMED_CITATION>
15621337; 16780354; 20387784; 22164802; 23833899; 24020201; 8655097

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