LMPK12050385
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0     0  0            999 V2000
    8.3965    9.2526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3965    8.2648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2522    7.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1077    8.2648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1077    9.2526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2522    9.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9632    7.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8186    8.2648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8186    9.2526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9632    9.7466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9632    6.7829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6741    7.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6741    6.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4674    6.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2609    6.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2609    7.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4674    8.2289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5411    9.7466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1163    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2522    6.7831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5411    7.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.6256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  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
  7 11  2  0  0  0  0
  8 12  1  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 17  1  0  0  0  0
 17 12  2  0  0  0  0
  1 18  1  0  0  0  0
 15 19  1  0  0  0  0
  3 20  1  0  0  0  0
  2 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050385

> <COMMON_NAME>
Tectorigenin

> <SYSTEMATIC_NAME>
5,7,4'-Trihydroxy-6-methoxyisoflavone

> <FORMULA>
C16H12O6

> <MASS>
300.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OBBCRPUNCUPUOS-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O6/c1-21-16-11(18)6-12-13(15(16)20)14(19)10(7-22-12)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3

> <SMILES>
C1(O)=CC2OC=C(C3=CC=C(O)C=C3)C(=O)C=2C(O)=C1OC

> <KEGG_ID>
C10534

> <HMDB_ID>
HMDB0042024

> <CHEBI_ID>
9429

> <ABBREVIATION>
-

> <CAYMAN_ID>
35860

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281811

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
114617; 33090

> <CITATION>
-

$$$$