LMPK12080052
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.5572   10.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5572    9.9274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3818    9.4513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2065    9.9274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2065   10.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3818   11.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0309    9.4513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8556    9.9274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8556   10.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0309   11.3556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6802    9.4513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6802    8.4332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5619    7.9243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4434    8.4332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4434    9.4513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5619    9.9604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8556    7.9572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   11.3554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2681    9.9274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5619    6.9720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6209    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2681    7.9572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5519    8.6983    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
  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  1  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  1  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  1  0  0  0  0
 16 11  2  0  0  0  0
  1  2  1  0  0  0  0
 12 17  2  0  0  0  0
  1 18  1  0  0  0  0
 15 19  2  0  0  0  0
 14 22  1  0  0  0  0
 13 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12080052

> <COMMON_NAME>
Pendulone

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

> <FORMULA>
C17H16O6

> <MASS>
316.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SHZOHJDZQPQBSW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H16O6/c1-21-16-13(19)7-12(15(20)17(16)22-2)10-5-9-3-4-11(18)6-14(9)23-8-10/h3-4,6-7,10,18H,5,8H2,1-2H3

> <SMILES>
C1(O)C=CC2CC(C3=CC(=O)C(OC)=C(OC)C3=O)COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
193416

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5320464

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 53625

> <CITATION>
-

$$$$