71436830
  CDK     0602212312

 27 28  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
    3.7934    1.8379    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
    3.0789    0.6004    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   -0.6371    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
    6.6743    1.0415    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
    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
    6.6648    1.8664    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
    5.2223   -1.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.2246    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
    7.4219    0.6176    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
    1.6500    0.6004    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
    7.3649    3.1121    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
    3.7934   -3.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223   -3.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0 
  1 21  1  0  0  0  0 
  2 12  1  0  0  0  0 
  3 13  1  0  0  0  0 
  4 14  2  0  0  0  0 
  5 21  2  0  0  0  0 
  6 10  2  0  0  0  0 
  6 11  1  0  0  0  0 
  6 12  1  0  0  0  0 
  7 14  1  0  0  0  0 
  7 16  1  0  0  0  0 
  7 18  1  0  0  0  0 
  8 12  2  0  0  0  0 
  8 13  1  0  0  0  0 
  8 14  1  0  0  0  0 
  9 10  1  0  0  0  0 
  9 13  2  0  0  0  0 
  9 17  1  0  0  0  0 
 11 15  1  0  0  0  0 
 11 20  2  0  0  0  0 
 15 19  1  0  0  0  0 
 16 22  1  0  0  0  0 
 17 23  1  0  0  0  0 
 19 24  1  0  0  0  0 
 20 21  1  0  0  0  0 
 23 25  2  0  0  0  0 
 25 26  1  0  0  0  0 
 25 27  1  0  0  0  0 
M  END
> <ID>
CHEBI:174950

> <NAME>
Mammea B/AB

> <STAR>
2

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

> <FORMULA>
C22H28O5

> <MASS>
372.461

> <MONOISOTOPIC_MASS>
372.19367

> <CHARGE>
0

> <SMILES>
O1C2=C(C(CCC)=CC1=O)C(O)=C(C(O)=C2CC=C(C)C)C(=O)C(CC)C

> <INCHI>
InChI=1S/C22H28O5/c1-6-8-14-11-16(23)27-22-15(10-9-12(3)4)20(25)18(21(26)17(14)22)19(24)13(5)7-2/h9,11,13,25-26H,6-8,10H2,1-5H3

> <INCHIKEY>
PQMOXTJVIYEOQL-UHFFFAOYSA-N

$$$$