CDK     1018121545

 27 29  0  0  0  0  0  0  0  0999 V2000
    7.2667   -7.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542   -7.5833    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5532   -8.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6287   -7.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6287   -6.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3407   -6.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3391   -7.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0500   -7.7427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0492   -6.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0472   -5.2731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7607   -4.8588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0494   -8.5677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7635   -8.9808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7628   -9.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4770  -10.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0480  -10.2177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4763  -11.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1918   -9.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1924   -8.9819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6299   -8.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -7.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -6.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7607   -6.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7660   -7.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0410   -6.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5487   -6.2440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8660   -6.9095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
  6  7  2  0  0  0  0 
 14 15  1  0  0  0  0 
  2  1  1  6  0  0  0 
 14 16  2  0  0  0  0 
  7  8  1  0  0  0  0 
 15 17  1  0  0  0  0 
  8 24  2  0  0  0  0 
 15 18  2  0  0  0  0 
 22  5  2  0  0  0  0 
 18 19  1  0  0  0  0 
 23  9  2  0  0  0  0 
  4 20  1  0  0  0  0 
 22 21  1  0  0  0  0 
  9  6  1  0  0  0  0 
 21  4  2  0  0  0  0 
 23 24  1  0  0  0  0 
  9 10  1  0  0  0  0 
  4  7  1  0  0  0  0 
 10 11  1  0  0  0  0 
  6  5  1  0  0  0  0 
 24  2  1  0  0  0  0 
  2 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 23  1  0  0  0  0 
  8 12  1  0  0  0  0 
 25 27  2  0  0  0  0 
M  END
> <ID>
CHEBI:70603

> <NAME>
14-angeloyloxy-11alpha-hydroxy-Omethyl-1,2,3,4-tetrahydrocacalolide

> <DEFINITION>
A natural product found in Parasenecio deltophyllus. 

> <STAR>
2

> <SYNONYM>
[(3R)-3-hydroxy-9-methoxy-3,5-dimethyl-2-oxobenzo[f][1]benzofuran-4-yl]methyl(Z)-2-methylbut-2-enoate

> <FORMULA>
C21H22O6

> <MASS>
370.39580

> <MONOISOTOPIC_MASS>
370.14164

> <CHARGE>
0

> <SMILES>
COc1c2OC(=O)[C@](C)(O)c2c(COC(=O)C(\C)=C/C)c2c(C)cccc12

> <INCHI>
InChI=1S/C21H22O6/c1-6-11(2)19(22)26-10-14-15-12(3)8-7-9-13(15)17(25-5)18-16(14)21(4,24)20(23)27-18/h6-9,24H,10H2,1-5H3/b11-6-/t21-/m1/s1

> <INCHIKEY>
PHJXJLUAXVXKCQ-JLXOPUERSA-N

> <PUBMED_CITATION>
20968296

$$$$