LMPK12113172
  LIPID_MAPS_STRUCTURE_DATABASE

 33 35  0  0  0  0  0  0  0  0999 V2000
    8.5798    7.7446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5701    8.5739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2333    7.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9877    7.7120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0189    8.5698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2835    8.9970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7371    8.9845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9076    8.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1548    8.5944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1469    7.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8608    7.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2333    6.5087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4562    8.5494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1787    8.9713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1811    9.8011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4618   10.2177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7435    9.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9076    9.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7060    7.2973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9267   10.2315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6054    9.8397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9877    6.0659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7060    6.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4242    6.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3123   10.1537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8608    6.4916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1425    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1425    6.0769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4242    6.4916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4366    9.0091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7183    7.7650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7183    8.5944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    9.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  2  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11  1  2  0  0  0  0
  3 12  2  0  0  0  0
  7 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17  7  1  0  0  0  0
 11 26  1  0  0  0  0
  9 30  1  0  0  0  0
  8 18  1  0  0  0  0
  4 19  1  0  0  0  0
 19 23  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 18 25  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 30 32  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
M  END
> <LM_ID>
LMPK12113172

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3,5,7-Tris(acetyloxy)-8-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one

> <FORMULA>
C23H20O10

> <MASS>
456.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
TWPMHNZGBZPKDY-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C23H20O10/c1-11(24)30-16-10-17(31-12(2)25)21(29-5)22-18(16)19(27)23(32-13(3)26)20(33-22)14-6-8-15(28-4)9-7-14/h6-10H,1-5H3

> <SMILES>
C12=C(OC(C)=O)C=C(OC(C)=O)C(OC)=C1OC(C1C=CC(OC)=CC=1)=C(OC(C)=O)C2=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
180379

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14027571

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$