LMPK12110270
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0     0  0            999 V2000
   14.4174   10.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5143   10.6256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6115   10.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6115    9.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5143    8.5403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4174    9.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7085   10.6256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8056   10.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8056    9.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7085    8.5403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5143    7.8173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4301   10.6890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3330   10.1676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2359   10.6890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2359   11.7315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3330   12.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4301   11.7315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0997   12.2302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7085    7.5672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9328   10.6080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7123    7.0747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9788    6.0739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2506    7.0745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9786    9.0761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4877    8.4287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8482    8.5757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8482    7.5751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9786    7.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1147    7.5749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1147    8.5756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2506    9.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7110    6.0747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5764    5.5736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8444    5.5758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5461    8.7657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7836    8.1187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3672    9.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  5 11  2  0  0  0  0
  1 12  1  0  0  0  0
 12 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 12  1  0  0  0  0
 15 18  1  0  0  0  0
 10 19  1  0  0  0  0
  8 20  1  0  0  0  0
 25 31  1  0     0  0
 30 24  1  0     0  0
 24 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  1     0  0
 27 21  1  6     0  0
 28 22  1  1     0  0
 29 23  1  6     0  0
 26  9  1  1     0  0
 21 32  1  0     0  0
 32 33  2  0     0  0
 32 34  1  0     0  0
 25 35  1  0     0  0
 35 36  2  0     0  0
 35 37  1  0     0  0
M  END
> <LM_ID>
LMPK12110270

> <COMMON_NAME>
2'',6''-Di-O-Acetyl isovitexin

> <SYSTEMATIC_NAME>


> <FORMULA>
C25H24O12

> <MASS>
516.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KMFYISKCEINRIB-WIOLZNRFSA-N

> <INCHI>
InChI=1S/C25H24O12/c1-10(26)34-9-18-21(31)23(33)25(35-11(2)27)24(37-18)20-15(30)8-17-19(22(20)32)14(29)7-16(36-17)12-3-5-13(28)6-4-12/h3-8,18,21,23-25,28,30-33H,9H2,1-2H3/t18-,21-,23+,24+,25-/m1/s1

> <SMILES>
C1(C2C=CC(O)=CC=2)=CC(=O)C2C(O)=C([C@H]3[C@H](OC(C)=O)[C@@H](O)[C@H](O)[C@@H](COC(C)=O)O3)C(O)=CC=2O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
163104742

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$