LMPK12112214
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0  0  0  0  0999 V2000
    7.5786   12.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5786   11.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4170   11.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2553   11.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2553   12.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4170   13.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0937   11.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9322   11.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9322   12.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0937   13.2210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0937   10.5301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9878   13.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8423   12.9141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6968   13.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6968   14.3941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8423   14.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9878   14.3941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4170   10.3172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8928   14.9658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8328   13.2210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7810   11.1519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8423   15.8738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5327   10.1239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5183    8.0925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7548    7.0937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8905    9.6344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7751   10.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6509    9.6245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6424    8.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7607    8.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8848    8.6211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0030    8.1218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8729    6.5914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8671    5.5765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9970    7.1039    0.0000 C   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
  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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  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 17  2  0  0  0  0
 17 12  1  0  0  0  0
  3 18  1  0  0  0  0
 19 15  1  0  0  0  0
 20  1  1  0  0  0  0
 21  8  1  0  0  0  0
  4  3  1  0  0  0  0
 16 22  1  0  0  0  0
 31 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  6     0  0
 27 21  1  1     0  0
 28 23  1  6     0  0
 29 24  1  6     0  0
 30 25  1  1     0  0
 25 33  1  0     0  0
 33 34  2  0     0  0
 33 35  1  0     0  0
M  END
> <LM_ID>
LMPK12112214

> <COMMON_NAME>
Quercetin 3-(4''-acetylrhamnoside)

> <SYSTEMATIC_NAME>
3-(4-O-Acetyl-alpha-L-rhamnopyranosyloxy)-3',4',5,7-tetrahydroxyflavone

> <FORMULA>
C23H22O12

> <MASS>
490.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PULIAKAXXDVGQY-DUCLCJKQSA-N

> <INCHI>
InChI=1S/C23H22O12/c1-8-20(33-9(2)24)18(30)19(31)23(32-8)35-22-17(29)16-14(28)6-11(25)7-15(16)34-21(22)10-3-4-12(26)13(27)5-10/h3-8,18-20,23,25-28,30-31H,1-2H3/t8-,18-,19+,20-,23-/m0/s1

> <SMILES>
C1(O)=CC2OC(C3C=C(O)C(O)=CC=3)=C(O[C@H]3[C@H](O)[C@H](O)[C@@H](OC(C)=O)[C@H](C)O3)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14728861

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 38787

> <CITATION>
-

$$$$