LMPK12112194
  LIPID_MAPS_STRUCTURE_DATABASE

 43 47  0     0  0            999 V2000
    7.4821   11.8694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4821   10.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3391   10.3852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1961   10.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1961   11.8694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3391   12.3642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0530   10.3852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9100   10.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9100   11.8694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0530   12.3642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0530    9.6137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9891   12.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8627   12.0503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7360   12.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7360   13.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8627   14.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9891   13.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3391    9.3959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6708   14.1029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7198   12.3642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7778   10.2491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8627   15.0757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2989    8.9543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9379    6.9894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0593    6.3232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6562    8.9315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5991    9.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3595    8.6213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1774    7.6366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2381    7.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4776    7.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5383    7.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5287    4.3974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5953    3.8941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1977    5.3152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3911    6.7830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8227    6.8205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0953    6.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8299    5.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8605    4.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1618    5.5676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4271    6.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7283    7.2410    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
 37 43  1  0     0  0
 42 36  1  0     0  0
 36 38  1  0     0  0
 38 39  1  0     0  0
 39 40  1  0     0  0
 40 41  1  0     0  0
 41 42  1  0     0  0
 42 43  1  1     0  0
 38 25  1  1     0  0
 39 33  1  6     0  0
 40 34  1  1     0  0
 41 35  1  6     0  0
M  END
> <LM_ID>
LMPK12112194

> <COMMON_NAME>
Quercetin 3-glucosyl-(1->4)-rhamnoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C27H30O16

> <MASS>
610.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Multinoside A

> <INCHI_KEY>
CAENGMLSMONNBU-QLYOBGCHSA-N

> <INCHI>
InChI=1S/C27H30O16/c1-8-23(42-27-21(37)19(35)17(33)15(7-28)41-27)20(36)22(38)26(39-8)43-25-18(34)16-13(32)5-10(29)6-14(16)40-24(25)9-2-3-11(30)12(31)4-9/h2-6,8,15,17,19-23,26-33,35-38H,7H2,1H3/t8-,15+,17+,19-,20-,21+,22+,23-,26-,27-/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](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@H](C)O3)C(=O)C=2C(O)=C1

> <KEGG_ID>
C17563

> <HMDB_ID>
-

> <CHEBI_ID>
81186

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5319943

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$