CDK     1018121544

 27 28  0  0  0  0  0  0  0  0999 V2000
    6.2609   -6.7358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6939   -6.7441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6898   -5.9110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9732   -5.4986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9732   -7.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2609   -5.9110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4104   -7.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5486   -7.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4021   -5.4861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1269   -5.9027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1310   -6.7358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9690   -4.6738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6814   -4.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5528   -7.9772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8321   -6.7400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8392   -5.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6773   -3.4366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9732   -7.9772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5486   -5.5028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4146   -7.9772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8363   -8.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9607   -3.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3896   -3.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6981   -8.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8405   -9.2144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1240   -7.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7023   -9.2185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  2  0  0  0  0 
  3  4  2  0  0  0  0 
  4  6  1  0  0  0  0 
  5  1  1  0  0  0  0 
  6  1  2  0  0  0  0 
  7  2  1  0  0  0  0 
  8  1  1  0  0  0  0 
  9  3  1  0  0  0  0 
 10  9  1  0  0  0  0 
 11  7  2  0  0  0  0 
 12  4  1  0  0  0  0 
 13 12  1  0  0  0  0 
 14  8  1  0  0  0  0 
 15  8  2  0  0  0  0 
 16 10  2  0  0  0  0 
 17 13  2  0  0  0  0 
 18  5  1  0  0  0  0 
 19  6  1  0  0  0  0 
 20  7  1  0  0  0  0 
 21 14  1  0  0  0  0 
 22 17  1  0  0  0  0 
 23 17  1  0  0  0  0 
 24 20  1  0  0  0  0 
 25 21  1  0  0  0  0 
 26 21  1  0  0  0  0 
 27 24  1  0  0  0  0 
  2  3  1  0  0  0  0 
 10 11  1  0  0  0  0 
M  END
> <ID>
CHEBI:69986

> <NAME>
5,7-dihydroxy-8-(3-methylbut-2-enyl)-6-(3-methylbutanoyl)-4-propyl-2H-chromen-2-one

> <DEFINITION>
A natural product found in Mammea americana. 

> <STAR>
2

> <SYNONYM>
Mammea B/AA; Isomammein; 5,7-Dihydroxy-8-(3-methyl-2-butenyl)-6-(3-methyl-1-oxobutyl)-4-propyl-2H-benzopyran-2-one

> <FORMULA>
C22H28O5

> <MASS>
372.45470

> <MONOISOTOPIC_MASS>
372.19367

> <CHARGE>
0

> <SMILES>
CCCc1cc(=O)oc2c(CC=C(C)C)c(O)c(C(=O)CC(C)C)c(O)c12

> <INCHI>
InChI=1S/C22H28O5/c1-6-7-14-11-17(24)27-22-15(9-8-12(2)3)20(25)19(21(26)18(14)22)16(23)10-13(4)5/h8,11,13,25-26H,6-7,9-10H2,1-5H3

> <INCHIKEY>
VXFHCMCZMKQIMR-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
478-67-1

> <CHEMIDPLUS>
478-67-1

> <PUBMED_CITATION>
21214226

$$$$