LMPK12111584
  LIPID_MAPS_STRUCTURE_DATABASE

 34 38  0     0  0            999 V2000
   12.2999    6.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1866    7.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1866    8.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2999    8.8596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4132    8.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4132    7.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0732    6.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9599    7.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9599    8.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0732    8.8596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8153    8.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7058    8.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5962    8.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5962    9.8699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7058   10.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8153    9.8699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0732    5.9485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0871    9.8612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0688    9.9682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6524    9.0329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6243    6.8685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7677    6.8577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7681    6.8577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6300    5.1743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6654    5.1883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6995    6.8939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1566    7.7297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7264    8.4191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6441    6.8741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1471    6.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1624    6.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6796    6.8882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1766    7.7352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6937    8.5880    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
  4 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20  5  1  0  0  0  0
  6 21  1  0  0  0  0
  8 22  1  0  0  0  0
 22 23  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 21  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>
LMPK12111584

> <COMMON_NAME>
Pongamoside C

> <SYSTEMATIC_NAME>


> <FORMULA>
C24H22O10

> <MASS>
470.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ADILGNQVWRXLRO-COYHTZKBSA-N

> <INCHI>
InChI=1S/C24H22O10/c1-30-23-16(26)13-9-14(32-24-19(29)18(28)17(27)15(10-25)33-24)22-12(7-8-31-22)21(13)34-20(23)11-5-3-2-4-6-11/h2-9,15,17-19,24-25,27-29H,10H2,1H3/t15-,17-,18+,19-,24-/m1/s1

> <SMILES>
C1C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C2OC=CC2=C2OC(C3C=CC=CC=3)=C(OC)C(=O)C=12

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101731480

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 56065

> <CITATION>
15081295

$$$$