LMPK12112303
  LIPID_MAPS_STRUCTURE_DATABASE

 34 36  0  0  0  0  0  0  0  0999 V2000
   10.3883    9.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3765   10.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1782    8.8597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0905    9.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1280   10.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2392   10.8659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9965   10.8508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5757   10.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6656   10.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6561    9.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5190    8.8396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1782    7.8575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8658   10.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7393   10.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7422   11.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8724   12.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0041   11.8402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9587    8.8110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6436   12.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0905    7.3222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9587    7.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8270    7.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5190    7.8369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6507    6.3328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6507    7.3356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7822    7.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7973   10.8805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9288    9.3764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9288   10.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.8805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5356   10.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4641   10.8820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4641   11.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3325   12.3861    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 23  1  0  0  0  0
  9 27  1  0  0  0  0
  4 18  1  0  0  0  0
 18 21  1  0  0  0  0
 15 19  1  0  0  0  0
 19 33  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 23 25  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 27 29  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 14 31  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112303

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3,5,7-Tris(acetyloxy)-2-[4-(acetyloxy)-3-hydroxyphenyl]-4H-1-benzopyran-4-one

> <FORMULA>
C23H18O11

> <MASS>
470.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZWYZHJDVFHNBDP-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C23H18O11/c1-10(24)30-15-8-18(32-12(3)26)20-19(9-15)34-22(23(21(20)29)33-13(4)27)14-5-6-17(16(28)7-14)31-11(2)25/h5-9,28H,1-4H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44259329

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 43493

> <CITATION>
-

$$$$