LMPK12080062
  LIPID_MAPS_STRUCTURE_DATABASE

 19 21  0  0  0  0  0  0  0  0999 V2000
    7.5763    9.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5763    8.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4202    7.9233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2640    8.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2640    9.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4202    9.8722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1079    7.9233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9518    8.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9518    9.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1079    9.8722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7954    7.9234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7954    6.8816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6977    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6000    6.8816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6000    7.9234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6977    8.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8940    6.3611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.8720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5014    6.3611    0.0000 O   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  2  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
  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
 12 17  1  0  0  0  0
  1 18  1  0  0  0  0
 14 19  1  0  0  0  0
M  END
> <LM_ID>
LMPK12080062

> <COMMON_NAME>
Haginin D

> <SYSTEMATIC_NAME>
7,2',4'-Trihydroxyisoflavene

> <FORMULA>
C15H12O4

> <MASS>
256.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IHOXLUDKLLDPHW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C15H12O4/c16-11-3-4-13(14(18)6-11)10-5-9-1-2-12(17)7-15(9)19-8-10/h1-7,16-18H,8H2

> <SMILES>
C1(O)C=CC2C=C(C3=CC=C(O)C=C3O)COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14077819

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 701537

> <CITATION>
10513403

$$$$