Marvin  05100611142D          

 12 13  0  0  1  0            999 V2000
   -0.7145   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144    1.2376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0123    0.5835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0001    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.0123   -0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1  8  1  6  0  0  0
  2 11  1  0  0  0  0
  2  9  1  6  0  0  0
  6  7  1  0  0  0  0
  5  6  2  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  2  4  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <ID>
CHEBI:7

> <NAME>
(+)-car-3-ene

> <DEFINITION>
A car-3-ene (3,7,7-trimethylbicyclo[4.1.0]hept-3-ene) that has S configuration at position 1 and R configuration at position 6.

> <STAR>
3

> <SYNONYM>
Isodiprene; (S)-(+)-3-carene; (1S,6R)-(+)-3-carene; (1S)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene; (1S)-(+)-3-carene; (+)-Delta(3)-carene; (+)-car-3-ene; (+)-alpha-carene; (+)-3-Carene

> <IUPAC_NAME>
1alpha,6alpha-car-3-ene; (1S,6R)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene

> <FORMULA>
C10H16

> <MASS>
136.23404

> <MONOISOTOPIC_MASS>
136.12520

> <CHARGE>
0

> <SMILES>
[H][C@@]12CC=C(C)C[C@]1([H])C2(C)C

> <INCHI>
InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9+/m1/s1

> <INCHIKEY>
BQOFWKZOCNGFEC-BDAKNGLRSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
4229885

> <CAS_REGISTRY_NUMBER>
498-15-7

> <GMELIN_REGISTRY_NUMBER>
663435

> <REAXYS_REGISTRY_NUMBER>
1902767

> <CHEMIDPLUS>
498-15-7

> <KEGG_COMPOUND_ACCESSION>
C11382

> <KNAPSACK_ACCESSION>
C00011044

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPR0102120021

> <METACYC_ACCESSION>
CPD-8756

> <NIST_CHEMISTRY_WEBBOOK>
498-15-7

> <PUBMED_CITATION>
22183881; 22277889; 8373196

$$$$