LMPK12050403
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0     0  0            999 V2000
    7.5671   10.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5671    9.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4015    9.4883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2361    9.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2361   10.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4015   11.4153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0706    9.4883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9049    9.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9049   10.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0705   11.4153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7393    9.4883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7396    8.4581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6316    7.9430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5238    8.4581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5238    9.4883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6316   10.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0706    8.5249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4015    8.5247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   11.4153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3584    7.9763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6316    6.9796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7034    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.4883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    8.2508    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
 14 20  1  0  0  0  0
  2 23  1  0  0  0  0
 13 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050403

> <COMMON_NAME>
Iristectorigenin B

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

> <FORMULA>
C17H14O7

> <MASS>
330.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CCRPIWFQMLICCY-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O7/c1-22-12-5-8(3-4-10(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(O)=C(OC)C=3)C(=O)C=2C(O)=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5491637

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 26378

> <CITATION>
-

$$$$