LMPK12050502
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0     0  0            999 V2000
    6.8925   10.5351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8925    9.5745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7242    9.0943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5564    9.5745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5564   10.5351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7242   11.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3881    9.0943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2201    9.5745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2201   10.5351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3881   11.0154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   11.0154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3881    8.1337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0520    9.0943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0520    8.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8235    7.7578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5950    8.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5950    9.0943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8235    9.5396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7242    8.1337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4269    7.7229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2201    7.7229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2526    6.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4268    6.7229    0.0000 C   0  0  0  0  0  0  0  0  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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  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 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 13  2  0  0  0  0
  3 19  1  0  0  0  0
 16 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0     0  0
 20 23  1  0     0  0
M  END
> <LM_ID>
LMPK12050502

> <COMMON_NAME>
Homoferreirin

> <SYSTEMATIC_NAME>
2,3-Dihydro-5,7-dihydroxy-2',4'-dimethoxyisoflavone

> <FORMULA>
C17H16O6

> <MASS>
316.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LMLDNMHDNFCNCW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H16O6/c1-21-10-3-4-11(14(7-10)22-2)12-8-23-15-6-9(18)5-13(19)16(15)17(12)20/h3-7,12,18-19H,8H2,1-2H3

> <SMILES>
C1(O)=CC2OCC(C3=CC=C(OC)C=C3OC)C(=O)C=2C(O)=C1

> <KEGG_ID>
C10457

> <HMDB_ID>
HMDB0030111

> <CHEBI_ID>
5754

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
442788

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3827

> <CITATION>
-

$$$$