LMPK12050262
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0     0  0            999 V2000
    8.5745   10.2307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5745    9.2633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4124    8.7795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2502    9.2633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2502   10.2307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4124   10.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0884    8.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9263    9.2633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9263   10.2307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0884   10.7146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7643    8.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7643    7.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6601    7.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5561    7.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5561    8.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6601    9.2969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0884    7.8119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7364   10.7146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7364    8.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7364    7.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8985    7.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8985    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4124    7.8119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3941    9.2633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3941    7.2613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6984    8.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 26 27  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  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
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
  3 24  1  0  0  0  0
 15 25  1  0  0  0  0
 14 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050262

> <COMMON_NAME>
Gancaonin B

> <SYSTEMATIC_NAME>
5,7,3'-Trihydroxy-4'-methoxy-6-prenylisoflavone

> <FORMULA>
C21H20O6

> <MASS>
368.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YQEPOQVRUDADPH-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H20O6/c1-11(2)4-6-13-15(22)9-18-19(20(13)24)21(25)14(10-27-18)12-5-7-17(26-3)16(23)8-12/h4-5,7-10,22-24H,6H2,1-3H3

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0038488

> <CHEBI_ID>
175730

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5317479

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 74613

> <CITATION>
-

$$$$