Marvin  08280714262D          

 24 26  0  0  0  0            999 V2000
   -3.6250    1.7187    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.8000    1.7187    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.0855    2.9562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0855    2.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3711    1.7187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6566    2.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3493    1.3809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9041    0.6864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5523    0.6097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1734    1.3426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2829   -0.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1071   -0.0848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0579    1.7187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0398    2.8159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6250    0.2898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2125    1.0043    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.8000    0.2898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3395    2.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8508    1.9323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0539    1.7187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0539    0.8937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8263    2.0190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1059    0.8952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6024    0.2806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  2 16  1  0  0  0  0
  1 18  1  0  0  0  0
  2  4  1  0  0  0  0
  4  3  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 13  1  0  0  0  0
 22 13  1  0  0  0  0
 22  7  1  0  0  0  0
 13 23  1  0  0  0  0
 23  8  1  0  0  0  0
 10  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 11 12  1  0  0  0  0
 22 14  2  0  0  0  0
 16 15  1  0  0  0  0
 16 17  1  0  0  0  0
 18 20  2  0  0  0  0
 20 19  1  0  0  0  0
 20 21  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
> <ID>
CHEBI:39397

> <NAME>
tetramethrin

> <STAR>
3

> <SYNONYM>
Phthalthrin; Neopinamin; Neo-pynamin

> <IUPAC_NAME>
(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate

> <FORMULA>
C19H25NO4

> <MASS>
331.40614

> <MONOISOTOPIC_MASS>
331.17836

> <CHARGE>
0

> <SMILES>
CC(C)=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C

> <INCHI>
InChI=1S/C19H25NO4/c1-11(2)9-14-15(19(14,3)4)18(23)24-10-20-16(21)12-7-5-6-8-13(12)17(20)22/h9,14-15H,5-8,10H2,1-4H3

> <INCHIKEY>
CXBMCYHAMVGWJQ-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1547171

> <CAS_REGISTRY_NUMBER>
7696-12-0

> <CHEMIDPLUS>
7696-12-0

> <KEGG_COMPOUND_ACCESSION>
C18373

> <KEGG_DRUG_ACCESSION>
D07368

$$$$