LMPK12050402
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0     0  0            999 V2000
    7.5587   10.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5587    9.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3847    8.8444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2109    9.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2109   10.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3847   10.7522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0370    8.8444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8630    9.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8630   10.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0370   10.7522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6891    8.8444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6891    7.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5724    7.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4556    7.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4556    8.8444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5724    9.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0370    7.8904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3847    7.8904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   10.7522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5724    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2818    7.3475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5679    8.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    8.8444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  1  0  0  0  0
 23 24  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
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 13 20  1  0  0  0  0
 14 21  1  0  0  0  0
  2 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050402

> <COMMON_NAME>
Iristectorigenin A

> <SYSTEMATIC_NAME>
5,7,3'-Trihydroxy-6,4'-dimethoxyisoflavone

> <FORMULA>
C17H14O7

> <MASS>
330.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WRZOUWHPDDOJNR-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O7/c1-22-12-4-3-8(5-10(12)18)9-7-24-13-6-11(19)17(23-2)16(21)14(13)15(9)20/h3-7,18-19,21H,1-2H3

> <SMILES>
C1(O)=CC2OC=C(C3C=CC(OC)=C(O)C=3)C(=O)C=2C(O)=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5488781

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 93026

> <CITATION>
-

$$$$