LMPK12112703
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0  0  0  0  0  0  0  0999 V2000
   10.4908    8.9502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4908    7.9362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3687    7.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2468    7.9362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2468    8.9502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3687    9.4570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1247    7.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0027    7.9362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0027    8.9502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1247    9.4570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1247    6.6388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8804    9.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7752    8.9402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6699    9.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6699   10.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7752   11.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8804   10.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6131    9.4567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3687    6.4160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4016   10.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7752   11.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9969    7.3622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7905    7.8204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3296    7.9142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3412    8.2648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6546   10.1586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2876   10.5848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6351    9.6343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9863    8.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9899    9.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6468    9.9850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2956   10.7582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9523   11.7051    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
  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  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
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  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 20 15  1  0  0  0  0
 16 21  1  0  0  0  0
  8 22  1  0  0  0  0
 22 23  1  0  0  0  0
 32 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  0     0  0
 32 33  1  6     0  0
 29 24  1  6     0  0
 30 25  1  6     0  0
 31 26  1  1     0  0
 28 18  1  1     0  0
M  END
> <LM_ID>
LMPK12112703

> <COMMON_NAME>
Quercetin 3-methyl ether 7-rhamnoside

> <SYSTEMATIC_NAME>
7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-3-methoxy-4H-1-benzopyran-4-one

> <FORMULA>
C22H22O11

> <MASS>
462.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3-O-Methylquercetin 7-O-rhamnopyranoside

> <INCHI_KEY>
LZFDWQPXTCYLAG-UFGFRKJLSA-N

> <INCHI>
InChI=1S/C22H22O11/c1-8-16(26)18(28)19(29)22(31-8)32-10-6-13(25)15-14(7-10)33-20(21(30-2)17(15)27)9-3-4-11(23)12(24)5-9/h3-8,16,18-19,22-26,28-29H,1-2H3/t8-,16-,18+,19+,22-/m0/s1

> <SMILES>
C1(O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)=CC2OC(C3C=C(O)C(O)=CC=3)=C(OC)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44259661

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 56888

> <CITATION>
-

$$$$