LMPK12020086
  LIPID_MAPS_STRUCTURE_DATABASE

 33 37  0     0  0            999 V2000
   11.1012   10.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1012    9.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9575    8.8319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8136    9.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8136   10.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9575   10.8091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6698    8.8319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5259    9.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5259   10.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6698   10.8091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3818   10.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2545   10.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1270   10.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1270   11.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2545   12.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3818   11.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2453   10.8090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9995   12.3201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9575    7.8435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3818    8.8320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2451    8.8319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2451    7.8432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1012    7.3488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3892    9.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3892   10.3486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5034   10.8599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6178   10.3486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6178    9.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5034    8.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   10.8598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    8.8149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1015    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2545   13.3276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  6  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
  1 17  1  0  0  0  0
 14 18  1  0  0  0  0
  3 19  1  0  0  0  0
  8 20  1  6  0  0  0
  2 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  1  0  0  0  0
 21 24  1  1  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
 27 30  1  0  0  0  0
 28 31  1  0  0  0  0
 23 32  2  0  0  0  0
 15 33  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020086

> <COMMON_NAME>
Cinchonain Id

> <SYSTEMATIC_NAME>


> <FORMULA>
C24H20O9

> <MASS>
452.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavans, Flavanols and Leucoanthocyanidins [PK1202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AKZBEMDOKOHIFM-IBUUURQNSA-N

> <INCHI>
InChI=1S/C24H20O9/c25-14-3-1-10(5-16(14)27)12-8-21(31)33-24-13-7-19(30)23(11-2-4-15(26)17(28)6-11)32-20(13)9-18(29)22(12)24/h1-6,9,12,19,23,25-30H,7-8H2/t12-,19+,23+/m0/s1

> <SMILES>
C1(O)=CC2O[C@H](C3C=C(O)C(O)=CC=3)[C@H](O)CC=2C2OC(=O)C[C@@H](C3C=C(O)C(O)=CC=3)C1=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21676382

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1753

> <CITATION>
-

$$$$