LMPK12112649
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0     0  0            999 V2000
   13.0063   11.0232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1378   11.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1378   12.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0063   13.0286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8746   12.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8746   11.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2695   11.0232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4011   11.5246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5327   11.0232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5327   10.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4011    9.5192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2695   10.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6643   11.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7960   11.0232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7960   10.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6643    9.5192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4011    8.6684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9275   11.5246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1378    9.5192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6643    8.6677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7431   13.0286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0063   14.0314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   11.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6100   12.5281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9501    8.3200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3886    6.2095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3976    7.8525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8382    5.2974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1941    8.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0203    7.9610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7587    6.9846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7575    6.9181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2235    6.0849    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
 18 23  1  0  0  0  0
 21 24  1  0  0  0  0
 32 27  1  0     0  0
 32 31  1  0     0  0
 27 29  1  0     0  0
 31 30  1  0     0  0
 29 30  1  0     0  0
 32 33  1  6     0  0
 33 28  1  0     0  0
 30 25  1  6     0  0
 31 26  1  1     0  0
 29 19  1  1     0  0
M  END
> <LM_ID>
LMPK12112649

> <COMMON_NAME>
Ombuin 3-arabinofuranoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H22O11

> <MASS>
462.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Quercetin 7,4'-dimethyl ether 3-arabinofuranoside

> <INCHI_KEY>
ZMSQUSQKAOVFQD-KLQZVLMRSA-N

> <INCHI>
InChI=1S/C22H22O11/c1-29-10-6-12(25)16-14(7-10)31-20(9-3-4-13(30-2)11(24)5-9)21(18(16)27)33-22-19(28)17(26)15(8-23)32-22/h3-7,15,17,19,22-26,28H,8H2,1-2H3/t15-,17-,19+,22-/m0/s1

> <SMILES>
C1C=C(OC)C(O)=CC=1C1=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](CO)O2)C(=O)C2C(O)=CC(OC)=CC=2O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44259625

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$