LMPK12050384
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0     0  0            999 V2000
    8.3321   10.8351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3321    9.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1641    9.3941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9959    9.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9959   10.8351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1641   11.3153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8278    9.3941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6598    9.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6598   10.8351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8279   11.3153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5002   11.3153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8278    8.4335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4917    9.3941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4917    8.5031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2631    8.0577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0346    8.5031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0346    9.3941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2631    9.8395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1641    8.4335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5002    9.3941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7356    9.9753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8663    8.0227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8913    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0  0  0  0
 22 23  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
  1 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  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 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 13  2  0  0  0  0
  3 19  1  0  0  0  0
  2 20  1  0  0  0  0
 16 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050384

> <COMMON_NAME>
Irisolidone

> <SYSTEMATIC_NAME>
5,7-Dihydroxy-6,4'-dimethoxyisoflavone

> <FORMULA>
C17H14O6

> <MASS>
314.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
4'-O-Methyltectorigenin

> <INCHI_KEY>
VOOFPOMXNLNEOF-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)11-8-23-13-7-12(18)17(22-2)16(20)14(13)15(11)19/h3-8,18,20H,1-2H3

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

> <KEGG_ID>
C10471

> <HMDB_ID>
HMDB0132852

> <CHEBI_ID>
5972

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281781

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 585812

> <CITATION>
-

$$$$