LMPK12113416
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0     0  0            999 V2000
   12.0289   13.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0289   12.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9138   11.6783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7988   12.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7988   13.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9138   13.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1440   11.6783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2589   12.1893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3741   11.6783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3741   10.6567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2589   10.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1440   10.6567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4892   12.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6042   11.6783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6042   10.6567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4892   10.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2668    9.2642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7193   12.1893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0289   10.1457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4910    9.3008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5320   13.6345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5774   11.7398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9989    9.8056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6895    7.9287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4097    6.3924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7343    8.4389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3735    9.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3585    9.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7042    8.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0639    7.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0790    7.4979    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  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
  9 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 10  1  0  0  0  0
 14 18  1  0  0  0  0
 11 17  2  0  0  0  0
 12 19  1  0  0  0  0
 16 20  1  0  0  0  0
  5 21  1  0  0  0  0
  4 22  1  0  0  0  0
 26 31  1  0     0  0
 31 30  1  0     0  0
 30 29  1  0     0  0
 29 28  1  0     0  0
 28 27  1  0     0  0
 27 26  1  0     0  0
 27 19  1  1     0  0
 28 23  1  6     0  0
 29 24  1  1     0  0
 30 25  1  6     0  0
M  END
> <LM_ID>
LMPK12113416

> <COMMON_NAME>
Reynoutrin

> <SYSTEMATIC_NAME>
3,5,7,3',4'-Pentahydroxyflavon 3-O-beta-D-xylopyranoside

> <FORMULA>
C20H18O11

> <MASS>
434.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Quercetin 3-O-beta-D-xylopyranoside

> <INCHI_KEY>
PZZRDJXEMZMZFD-BWYUNELBSA-N

> <INCHI>
InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15+,17-,20+/m1/s1

> <SMILES>
C1C=C(O)C(O)=CC=1C1=C(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(=O)C2C(O)=CC(O)=CC=2O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
69456

> <ABBREVIATION>
-

> <CAYMAN_ID>
35141

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5320861

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
76036

> <CITATION>
-

$$$$