71438014
  CDK     0602212312

 26 27  0  0  0  0  0  0  0  0999 V2000
    6.6743   -0.6657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    1.8379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.6371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369   -1.8746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1347   -0.6570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6743    1.0415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369   -0.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223   -0.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    1.0129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648    1.8664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.0129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3744    2.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223   -1.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4219    0.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -1.8746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4219   -0.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -2.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3649    3.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.0129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -3.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0 
  1 19  1  0  0  0  0 
  2 11  1  0  0  0  0 
  3 13  1  0  0  0  0 
  4 16  2  0  0  0  0 
  5 19  2  0  0  0  0 
  6  7  1  0  0  0  0 
  6  8  2  0  0  0  0 
  6 11  1  0  0  0  0 
  7 12  1  0  0  0  0 
  7 17  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 13  2  0  0  0  0 
  9 16  1  0  0  0  0 
 10 11  2  0  0  0  0 
 10 13  1  0  0  0  0 
 10 14  1  0  0  0  0 
 12 15  1  0  0  0  0 
 14 21  1  0  0  0  0 
 15 22  1  0  0  0  0 
 16 18  1  0  0  0  0 
 17 19  1  0  0  0  0 
 18 20  1  0  0  0  0 
 20 24  1  0  0  0  0 
 21 23  2  0  0  0  0 
 23 25  1  0  0  0  0 
 23 26  1  0  0  0  0 
M  END
> <ID>
CHEBI:174797

> <NAME>
Normammein

> <STAR>
2

> <IUPAC_NAME>
8-butanoyl-5,7-dihydroxy-6-(3-methylbut-2-enyl)-4-propylchromen-2-one

> <FORMULA>
C21H26O5

> <MASS>
358.434

> <MONOISOTOPIC_MASS>
358.17802

> <CHARGE>
0

> <SMILES>
O1C2=C(C(CCC)=CC1=O)C(O)=C(C(O)=C2C(=O)CCC)CC=C(C)C

> <INCHI>
InChI=1S/C21H26O5/c1-5-7-13-11-16(23)26-21-17(13)19(24)14(10-9-12(3)4)20(25)18(21)15(22)8-6-2/h9,11,24-25H,5-8,10H2,1-4H3

> <INCHIKEY>
KXLBWJRELYDBOS-UHFFFAOYSA-N

$$$$