LMPK12050480
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0     0  0            999 V2000
    7.5740   12.1881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5740   11.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4151   10.7313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2560   11.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2560   12.1881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4151   12.6736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0973   10.7313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9385   11.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9385   12.1881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0973   12.6736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7795   10.7313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6204   11.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7795    9.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6204    9.2743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4615    9.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4615   10.7313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327   12.6736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0973    9.7600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4151    9.7600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6204    8.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3027    9.2743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4615    7.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4615    6.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6204    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3025    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9385    9.2743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9385    7.4683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 26 27  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  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  2  0  0  0  0
 11 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 12  1  0  0  0  0
 17  1  1  0  0  0  0
  7 18  2  0  0  0  0
  3 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 13 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050480

> <COMMON_NAME>
Sophoraisoflavanone A

> <SYSTEMATIC_NAME>
2,3-Dihydro-5,7-dihydroxy-3-[4-hydroxy-2-methoxy-3-(3-methyl-2-butenyl)phenyl]-4H-1-benzopyran-4-one

> <FORMULA>
C21H22O6

> <MASS>
370.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AALISTBXLBQUEH-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H22O6/c1-11(2)4-5-14-16(23)7-6-13(21(14)26-3)15-10-27-18-9-12(22)8-17(24)19(18)20(15)25/h4,6-9,15,22-24H,5,10H2,1-3H3

> <SMILES>
C1(O)C=C2OCC(C3C(OC)=C(C/C=C(/C)\C)C(O)=CC=3)C(=O)C2=C(O)C=1

> <KEGG_ID>
C10530

> <HMDB_ID>
-

> <CHEBI_ID>
27494

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
442822

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 256637

> <CITATION>
-

$$$$