LMPK12050504
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0     0  0            999 V2000
    6.8786   10.6715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8786    9.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6965    9.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5144    9.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5144   10.6715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6965   11.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3324    9.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1503    9.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1503   10.6715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3324   11.1438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9683    9.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9683    8.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8428    7.7401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7173    8.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7173    9.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8428    9.7598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3324    8.3106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   11.1438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5354    7.7729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6965    8.3103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1503    7.7729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1503    6.3024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8428    6.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5695    6.0606    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  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  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 11  2  0  0  0  0
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
 14 19  1  0  0  0  0
  3 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050504

> <COMMON_NAME>
Parvisoflavanone

> <SYSTEMATIC_NAME>
5,7,4'-Trihydroxy-2',3'-dimethoxyisoflavanone

> <FORMULA>
C17H16O7

> <MASS>
332.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KPBUWUOWFRHOIU-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H16O7/c1-22-16-9(3-4-11(19)17(16)23-2)10-7-24-13-6-8(18)5-12(20)14(13)15(10)21/h3-6,10,18-20H,7H2,1-2H3

> <SMILES>
C1(O)=CC2OCC(C3=CC=C(O)C(OC)=C3OC)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
140137

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257394

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 104316

> <CITATION>
-

$$$$