LMPK12050133
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0     0  0            999 V2000
    8.3370   11.4871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2072   10.9845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0774   11.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9473   10.9848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9473    9.9432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8494    9.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7515    9.9432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7515   10.9848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8494   11.5056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2076    9.9805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0774    9.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8555    8.4270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6532    9.4227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6532    8.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5155    7.9290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3780    8.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3780    9.4227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5155    9.9205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0648   12.6532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2477    7.9249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0715   12.6639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0714   14.4022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0715   16.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0717   14.4022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5716   13.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5717   13.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0715   14.4022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5717   15.2602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5716   15.2602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2478    6.9249    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  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
  6 12  2  0  0  0  0
  7 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 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 19  3  1  0  0  0  0
 16 20  1  0  0  0  0
 24 29  1  0     0  0
 29 28  1  0     0  0
 28 27  1  0     0  0
 27 26  1  0     0  0
 26 25  1  0     0  0
 25 24  1  0     0  0
 26 21  1  1     0  0
 27 22  1  6     0  0
 28 23  1  6     0  0
 25 19  1  1     0  0
 20 30  1  0     0  0
M  END
> <LM_ID>
LMPK12050133

> <COMMON_NAME>
Retusin 8-O-arabinoside

> <SYSTEMATIC_NAME>
7,8-Dihydroxy-4'-methoxyisoflavone 8-O-arabinoside

> <FORMULA>
C21H20O9

> <MASS>
416.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VBASZMXRNTWFQI-OCQZMCQHSA-N

> <INCHI>
InChI=1S/C21H20O9/c1-27-11-4-2-10(3-5-11)13-8-28-19-12(16(13)24)6-7-14(22)20(19)30-21-18(26)17(25)15(23)9-29-21/h2-8,15,17-18,21-23,25-26H,9H2,1H3/t15-,17-,18+,21+/m1/s1

> <SMILES>
OC1C=CC2C(=O)C(C3C=CC(OC)=CC=3)=COC=2C=1O[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
184810

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257260

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1071187; 33090

> <CITATION>
-

$$$$