LMPK12020011
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0  0  0  0  0  0  0  0999 V2000
    6.9825   10.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2726    9.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2726    8.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6924    8.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6924    9.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4024    8.5651    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1123    8.9749    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1123    9.7946    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4024   10.2045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8306   10.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5618    9.7873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2931   10.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2930   11.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5618   11.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8306   11.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544   10.2094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9825    8.5651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0113   11.4684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4024    7.7357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5618   12.3052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6841    7.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6841    6.4916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4024    6.0769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1207    6.4916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1207    7.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9658    7.7357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4024    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8306    8.5603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9658    6.0769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3588    6.4275    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
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  6  0  0  0
 10 11  2  0  0  0  0
 11 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 10  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  2  0  0  0  0
 17  4  1  0  0  0  0
 13 18  1  0  0  0  0
  6 19  1  1  0  0  0
 14 20  1  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 19  1  0  0  0  0
 21 26  1  0  0  0  0
 23 27  1  0  0  0  0
  7 28  1  1  0  0  0
 22 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020011

> <COMMON_NAME>
4beta-(2,4-Dihydroxy-3-methoxyphenyl)fisetinidol

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H20O8

> <MASS>
412.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavans, Flavanols and Leucoanthocyanidins [PK1202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LJOUTPJWMNHIAA-HLAWJBBLSA-N

> <INCHI>
InChI=1S/C22H20O8/c1-29-22-15(25)7-5-13(19(22)27)18-12-4-3-11(23)9-17(12)30-21(20(18)28)10-2-6-14(24)16(26)8-10/h2-9,18,20-21,23-28H,1H3/t18-,20+,21-/m1/s1

> <SMILES>
C1C2O[C@H](C3C=C(O)C(O)=CC=3)[C@@H](O)[C@@H](C3C=CC(O)=C(OC)C=3O)C=2C=CC=1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
184471

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14463101

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$