LMPK12050225
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0     0  0            999 V2000
    8.5716   10.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5716    9.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4085    8.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2455    9.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2455   10.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4085   10.7097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0825    8.7769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9195    9.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9195   10.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0825   10.7097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7565    8.7769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7565    7.7437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6513    7.2269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5463    7.7437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5463    8.7769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6513    9.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0825    7.8105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7346   10.7097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7346    8.7769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7346    7.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8976    7.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8976    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4085    7.8105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3832    7.2604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6864    8.0126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 25 26  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
 14 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050225

> <COMMON_NAME>
Gancaonin A

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

> <FORMULA>
C21H20O5

> <MASS>
352.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JQNSUDIGIIGIOL-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H20O5/c1-12(2)4-9-15-17(22)10-18-19(20(15)23)21(24)16(11-26-18)13-5-7-14(25-3)8-6-13/h4-8,10-11,22-23H,9H2,1-3H3

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0038481

> <CHEBI_ID>
175515

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5317478

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 74613

> <CITATION>
-

$$$$