LMPK12050197
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0     0  0            999 V2000
    8.4345    9.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4345    8.1288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2861    7.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1374    8.1288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1374    9.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2861    9.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9890    7.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8404    8.1288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8404    9.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9890    9.6035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6915    7.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6915    6.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6018    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5121    6.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5121    7.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6018    8.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9890    6.6544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5834    9.6034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4216    6.0611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2861    6.6544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2861   10.5863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4349   11.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4349   12.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5837   12.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2861   12.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   12.0606    0.0000 O   0  0  0  0  0  0  0  0  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
  8 11  1  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 16  1  0  0  0  0
 16 11  2  0  0  0  0
  1  2  1  0  0  0  0
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
 14 19  1  0  0  0  0
  3 20  1  0  0  0  0
  6 21  1  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
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050197

> <COMMON_NAME>
Gancaonin C

> <SYSTEMATIC_NAME>
5,7,4'-Trihydroxy-8-(4-hydroxyprenyl)isoflavone

> <FORMULA>
C20H18O6

> <MASS>
354.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MEADLGUPYQNUNF-BIIKFXOESA-N

> <INCHI>
InChI=1S/C20H18O6/c1-11(9-21)2-7-14-16(23)8-17(24)18-19(25)15(10-26-20(14)18)12-3-5-13(22)6-4-12/h2-6,8,10,21-24H,7,9H2,1H3/b11-2+

> <SMILES>
C1(O)C=C(O)C2C(=O)C(C3=CC=C(O)C=C3)=COC=2C=1C/C=C(\C)/CO

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0038395

> <CHEBI_ID>
175546

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6450959

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 74613

> <CITATION>
-

$$$$