LMPK12050059
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0     0  0            999 V2000
    7.5554   10.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5554    9.9203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3785    9.4451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2014    9.9203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2014   10.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3785   11.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0243    9.4451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8473    9.9203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8473   10.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0243   11.3456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7325   11.3456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6702    9.4451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6702    8.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5501    7.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4299    8.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4299    9.4451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5501    9.9531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0243    8.4947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5501    6.9710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6070    6.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2530    7.9539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5340    8.6936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  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
  1 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  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 12  1  0  0  0  0
  7 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050059

> <COMMON_NAME>
Cladrin

> <SYSTEMATIC_NAME>
7-Hydroxy-3',4'-dimethoxyisoflavone

> <FORMULA>
C17H14O5

> <MASS>
298.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VFZIJLPRJAQGFO-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O5/c1-20-14-6-3-10(7-16(14)21-2)13-9-22-15-8-11(18)4-5-12(15)17(13)19/h3-9,18H,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0130362

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5748605

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 38412

> <CITATION>
-

$$$$