LMPK12110276
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0  0  0  0  0  0  0  0999 V2000
    7.8232    9.6238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8381   10.6538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7376   11.1559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9535   11.1817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9685   12.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0540   10.6795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0392    9.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5461    9.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5461    8.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4013    8.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2565    8.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2565    9.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4013   10.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1116    8.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9668    8.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9668    9.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1116   10.2087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1116    7.4637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6913   10.2084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4013    7.2465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9167   10.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8178    9.7198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7191   10.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7191   11.2808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8178   11.8009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9167   11.2808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6194   11.8006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6909   13.1348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4155   14.1277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2817   11.6391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9642   14.1112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4167   11.1380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5531   11.6365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5545   12.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4167   13.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2803   12.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1426   13.1304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  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 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  8  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 14 18  2  0  0  0  0
  8 19  1  0  0  0  0
 10 20  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 21 16  1  0  0  0  0
 24 27  1  0  0  0  0
 31 37  1  0     0  0
 36 30  1  0     0  0
 30 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
 35 36  1  0     0  0
 36 37  1  1     0  0
 34 28  1  1     0  0
 35 29  1  6     0  0
 32 13  1  1     0  0
 33  3  1  6     0  0
M  END
> <LM_ID>
LMPK12110276

> <COMMON_NAME>
Vitexin 2''-O-(2'''-methylbutyryl)

> <SYSTEMATIC_NAME>
2-(4-Hydroxyphenyl)-5,7-dihydroxy-8-[2-O-(2-methylbutyryl)-beta-D-glucopyranosyl]-4H-1-benzopyran-4-one

> <FORMULA>
C26H28O11

> <MASS>
516.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WEAUPFXXCUHVAE-CEQOHUSQSA-N

> <INCHI>
InChI=1S/C26H28O11/c1-3-11(2)26(34)37-25-22(33)21(32)18(10-27)36-24(25)20-15(30)8-14(29)19-16(31)9-17(35-23(19)20)12-4-6-13(28)7-5-12/h4-9,11,18,21-22,24-25,27-30,32-33H,3,10H2,1-2H3/t11?,18-,21-,22+,24+,25-/m1/s1

> <SMILES>
O=C(C(CC)C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1C1=C(O)C=C(O)C2C(=O)C=C(C3C=CC(O)=CC=3)OC=21

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21578036

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 46346

> <CITATION>
15104499

$$$$