LMPK12050142
  LIPID_MAPS_STRUCTURE_DATABASE

 23 26  0  0  0  0  0  0  0  0999 V2000
    8.8854   -6.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8854   -7.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7117   -7.5666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5380   -7.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5380   -6.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7117   -5.6582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3643   -7.5666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1907   -7.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1907   -6.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3643   -5.6582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0170   -7.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0170   -8.5870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9006   -9.0970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7840   -8.5870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7840   -7.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9006   -7.0567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0588   -5.6582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3643   -8.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7543   -8.9023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3539   -8.0768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7543   -7.2516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7117   -4.7041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5777   -4.2041    0.0000 C   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
  1 17  1  0  0  0  0
  7 18  2  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
  6 22  1  0  0  0  0
 22 23  1  0     0  0
M  END
> <LM_ID>
LMPK12050142

> <COMMON_NAME>
Maximaisoflavone E

> <SYSTEMATIC_NAME>
7-Hydroxy-8-methoxy-3',4'-methylenedioxyisoflavone

> <FORMULA>
C17H12O6

> <MASS>
312.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JNTVQHNRKNXQPA-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H12O6/c1-20-17-12(18)4-3-10-15(19)11(7-21-16(10)17)9-2-5-13-14(6-9)23-8-22-13/h2-7,18H,8H2,1H3

> <SMILES>
C1(O)C=CC2C(=O)C(C3=CC4OCOC=4C=C3)=COC=2C=1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14018711

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 2785040

> <CITATION>
-

$$$$