LMPK12111561
  LIPID_MAPS_STRUCTURE_DATABASE

 34 38  0     0  0            999 V2000
   12.5754    7.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4792    7.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4792    8.6969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5754    9.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6715    8.6969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6715    7.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3831    7.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2868    7.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2868    8.6969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3831    9.2186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1589    9.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0666    8.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9742    9.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9742   10.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0666   10.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1589   10.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3831    6.2510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1103    7.1777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1301    7.1777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9487    9.1141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7531   10.9497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3268   11.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2844   11.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5873    7.1456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7014    6.4744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1824    7.7707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2436    9.4272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6766    9.2404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0085    8.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8277    7.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8820    7.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1227    8.1068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3034    9.0910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5439    9.7392    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  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  3  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
  8 18  1  0  0  0  0
 18 19  1  0  0  0  0
  5 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 15  1  0  0  0  0
 28 34  1  0     0  0
 33 27  1  0     0  0
 27 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  1     0  0
 29 20  1  1     0  0
 30 24  1  6     0  0
 31 25  1  1     0  0
 32 26  1  6     0  0
M  END
> <LM_ID>
LMPK12111561

> <COMMON_NAME>
Pongamoside D

> <SYSTEMATIC_NAME>


> <FORMULA>
C23H22O11

> <MASS>
474.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RQSSRCUNGIYPIQ-PUIBNRJISA-N

> <INCHI>
InChI=1S/C23H22O11/c1-29-22-17(25)12-4-3-11(32-23-20(28)19(27)18(26)16(8-24)34-23)7-14(12)33-21(22)10-2-5-13-15(6-10)31-9-30-13/h2-7,16,18-20,23-24,26-28H,8-9H2,1H3/t16-,18-,19+,20-,23-/m1/s1

> <SMILES>
C1C=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C=C2OC(C3C=C4OCOC4=CC=3)=C(OC)C(=O)C=12

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101731481

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 56065

> <CITATION>
15081295

$$$$