Mrv0541 12021309492D          

 29 32  0  0  0  0            999 V2000
   20.9073  -13.3723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3989  -12.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1198  -13.1140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1198  -12.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9073  -12.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4031  -13.5265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2198  -12.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4531  -11.9807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1198  -11.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6281  -11.9848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8656  -12.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4031  -11.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0031  -11.3640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.6780  -12.5265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6906  -13.1140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7614  -11.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1156  -11.0515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6906  -12.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6322  -13.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4572  -13.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4073  -12.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4031  -14.3515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8324  -12.2890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9781  -11.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6907  -11.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4073  -13.1140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5490  -11.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6906  -14.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2614  -12.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  2  0  0  0  0
  7  2  1  0  0  0  0
  8 10  2  0  0  0  0
  9 23  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12  4  2  0  0  0  0
 13  8  1  0  0  0  0
 14 11  1  0  0  0  0
 15  6  1  0  0  0  0
 16 13  1  0  0  0  0
 17  9  2  0  0  0  0
 18 12  1  0  0  0  0
 19  7  2  0  0  0  0
 20 19  1  0  0  0  0
 21  9  1  0  0  0  0
 22  6  1  0  0  0  0
 23 27  1  0  0  0  0
 24 18  1  0  0  0  0
 25 21  1  0  0  0  0
 26 21  1  0  0  0  0
 27 29  1  0  0  0  0
 28 22  1  0  0  0  0
 29 24  1  0  0  0  0
  4  5  1  0  0  0  0
 11 20  2  0  0  0  0
 15 18  2  0  0  0  0
 16 14  1  0  0  0  0
M  END
> <ID>
CHEBI:69554

> <NAME>
egonol-2-methylpropanoate

> <DEFINITION>
A fatty acid ester obtained by the formal condensation of egonol with isobutyric acid. It has been isolated from the fruits of Styrax agrestis.

> <STAR>
3

> <IUPAC_NAME>
3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl 2-methylpropanoate

> <FORMULA>
C23H24O6

> <MASS>
396.43310

> <MONOISOTOPIC_MASS>
396.15729

> <CHARGE>
0

> <SMILES>
COc1cc(CCCOC(=O)C(C)C)cc2cc(oc12)-c1ccc2OCOc2c1

> <INCHI>
InChI=1S/C23H24O6/c1-14(2)23(24)26-8-4-5-15-9-17-12-19(29-22(17)21(10-15)25-3)16-6-7-18-20(11-16)28-13-27-18/h6-7,9-12,14H,4-5,8,13H2,1-3H3

> <INCHIKEY>
MOIMOJLRMXIUDV-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
22007788

> <PUBMED_CITATION>
21939219

$$$$