LMPK12050417
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0     0  0            999 V2000
    7.5536   10.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5536    9.3026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3743    8.8287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1952    9.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1952   10.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3744   10.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0161    8.8286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8368    9.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8368   10.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0161   10.7243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6578    8.8286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6578    7.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5355    7.3085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4129    7.8151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4129    8.8285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5354    9.3352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0161    7.8807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3743    7.8808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   10.7243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5355    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2790    9.3284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2790    7.3152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2790    6.3152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2790   10.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6875    8.8027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8215    9.3027    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  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
 15 21  1  0     0  0
 14 22  1  0     0  0
 22 23  1  0     0  0
 21 24  1  0     0  0
  2 25  1  0     0  0
 25 26  1  0     0  0
M  END
> <LM_ID>
LMPK12050417

> <COMMON_NAME>
Irigenin

> <SYSTEMATIC_NAME>
5,7,3'-Trimethoxy-6,4',5'-trimethoxyisoflavone

> <FORMULA>
C18H16O8

> <MASS>
360.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
TUGWPJJTQNLKCL-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H16O8/c1-23-13-5-8(4-10(19)17(13)24-2)9-7-26-12-6-11(20)18(25-3)16(22)14(12)15(9)21/h4-7,19-20,22H,1-3H3

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

> <KEGG_ID>
C17957

> <HMDB_ID>
-

> <CHEBI_ID>
81409

> <ABBREVIATION>
-

> <CAYMAN_ID>
34676

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5464170

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 26378

> <CITATION>
-

$$$$