44259971
  CDK     1210211633

 27 29  0  0  0  0  0  0  0  0999 V2000
    5.2784   -0.3326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8360   -1.1861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3661   -0.3525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8360    2.1710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7073    1.3174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2784    2.1424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8508   -1.5701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4071   -1.2027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5639    0.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5639    0.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9929    0.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8264   -0.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2784    1.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8264    1.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9929    0.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7073   -0.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.0627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.9221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4219    0.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7073   -1.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1363   -0.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4219   -1.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1363   -1.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1263   -1.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1358   -2.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5652   -1.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0 
  1 11  1  0  0  0  0 
  2 12  1  0  0  0  0 
  2 24  1  0  0  0  0 
  3 17  1  0  0  0  0 
  3 25  1  0  0  0  0 
  4 14  1  0  0  0  0 
  5 15  1  0  0  0  0 
  6 13  2  0  0  0  0 
  7 23  1  0  0  0  0 
  7 27  1  0  0  0  0 
  8 24  2  0  0  0  0 
  9 10  2  0  0  0  0 
  9 13  1  0  0  0  0 
  9 14  1  0  0  0  0 
 10 12  1  0  0  0  0 
 11 15  2  0  0  0  0 
 11 16  1  0  0  0  0 
 12 17  2  0  0  0  0 
 13 15  1  0  0  0  0 
 14 18  2  0  0  0  0 
 16 19  2  0  0  0  0 
 16 20  1  0  0  0  0 
 17 18  1  0  0  0  0 
 19 21  1  0  0  0  0 
 20 22  2  0  0  0  0 
 21 23  2  0  0  0  0 
 22 23  1  0  0  0  0 
 24 26  1  0  0  0  0 
M  END
> <ID>
CHEBI:188161

> <NAME>
Herbacetin 7,4'-dimethyl ether 8-acetate

> <STAR>
2

> <IUPAC_NAME>
[3,5-dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl] acetate

> <FORMULA>
C19H16O8

> <MASS>
372.329

> <MONOISOTOPIC_MASS>
372.08452

> <CHARGE>
0

> <SMILES>
O1C2=C(C(=O)C(O)=C1C3=CC=C(OC)C=C3)C(O)=CC(OC)=C2OC(=O)C

> <INCHI>
InChI=1S/C19H16O8/c1-9(20)26-18-13(25-3)8-12(21)14-15(22)16(23)17(27-19(14)18)10-4-6-11(24-2)7-5-10/h4-8,21,23H,1-3H3

> <INCHIKEY>
JMOATYWEVOXWOP-UHFFFAOYSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12113169

$$$$