LMPK12110531
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0     0  0            999 V2000
    8.8460   11.6085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2486   12.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8661   12.9257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2223   13.5424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1274   12.9935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7791   12.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1848   10.7686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1848    9.7352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0798    9.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9749    9.7352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9749   10.7686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0798   11.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8698    9.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7648    9.7352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7648   10.7686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8698   11.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8698    8.4129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2903   11.2851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7590   11.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6918   10.7564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6448   11.2837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6647   12.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7317   12.9341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7790   12.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5597   12.8891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0798    8.1855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7317   13.9676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3381   12.3165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3382   14.3182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0689   15.3145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9382   12.8172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6231   15.2981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0701   12.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2035   12.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2048   13.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0702   14.3160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9367   13.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8021   14.3138    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
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
 10 13  1  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 11  1  0  0  0  0
 13 17  2  0  0  0  0
  7 18  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  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 19  1  0  0  0  0
 19 15  1  0  0  0  0
 22 25  1  0  0  0  0
  9 26  1  0  0  0  0
 23 27  1  0  0  0  0
 32 38  1  0     0  0
 37 31  1  0     0  0
 31 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  0     0  0
 37 38  1  1     0  0
 34 28  1  6     0  0
 35 29  1  1     0  0
 36 30  1  6     0  0
 33 12  1  1     0  0
  2 28  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110531

> <COMMON_NAME>
Orientin 2''-O-(2'''-methylbutyrate)

> <SYSTEMATIC_NAME>


> <FORMULA>
C26H28O12

> <MASS>
532.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IXJHFORJGDOBHK-JXYLWMJSSA-N

> <INCHI>
InChI=1S/C26H28O12/c1-3-10(2)26(35)38-25-22(34)21(33)18(9-27)37-24(25)20-15(31)7-14(30)19-16(32)8-17(36-23(19)20)11-4-5-12(28)13(29)6-11/h4-8,10,18,21-22,24-25,27-31,33-34H,3,9H2,1-2H3/t10?,18-,21-,22+,24+,25-/m1/s1

> <SMILES>
O=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=C(O)C(O)=CC=3)OC=21)C(CC)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21578037

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$