LMPK12050068
  LIPID_MAPS_STRUCTURE_DATABASE

 28 31  0     0  0            999 V2000
   10.2587   10.5812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2587    9.6117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0983    9.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9378    9.6117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9378   10.5812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0983   11.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7774    9.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6170    9.6117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6170   10.5812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7774   11.0659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4566    9.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4565    8.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3542    7.5722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2519    8.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2519    9.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3542    9.6453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7774    8.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4191   11.0659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5795   10.5812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7397   11.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9002   10.5812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   11.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9002    9.6116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2377    7.7702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8469    8.6087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2377    9.4473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6168    7.6057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6168    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 27 28  1  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  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  2  0  0  0  0
 12 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 11  1  0  0  0  0
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
 18 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
 14 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 15  1  0  0  0  0
 12 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050068

> <COMMON_NAME>
Maximaisoflavone C

> <SYSTEMATIC_NAME>
2'-Methoxy-4',5'-methylenedioxy-7-prenyloxyisoflavone

> <FORMULA>
C22H20O6

> <MASS>
380.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HIMSTRVEHVBQCS-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H20O6/c1-13(2)6-7-25-14-4-5-15-19(8-14)26-11-17(22(15)23)16-9-20-21(28-12-27-20)10-18(16)24-3/h4-6,8-11H,7,12H2,1-3H3

> <SMILES>
C1(OC/C=C(\C)/C)=CC2OC=C(C3C=C4OCOC4=CC=3OC)C(=O)C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
343080

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 2785040

> <CITATION>
-

$$$$