LMPK12140492
  LIPID_MAPS_STRUCTURE_DATABASE

 28 30  0  0  0  0  0  0  0  0999 V2000
    7.6121    8.5697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6349    7.5801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5915    7.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3976    7.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4149    8.6150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5218    9.1382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3268    7.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1561    7.5696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1448    8.6359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3030    9.1076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0242    9.1436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8748    8.6680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7505    9.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7757   10.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8995   10.7026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0128   10.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3268    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.0773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5915    6.0911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6395   10.6723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5218   10.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8995   11.6485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7687   12.1503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8748    7.6829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5742   10.6520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5742   11.5877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3751   12.0502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8965   11.9790    0.0000 C   0  0  0  0  0  0  0  0  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
  9 11  1  0  0  0  0
 11 12  2  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  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 14 20  1  0  0  0  0
  6 21  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
 12 24  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140492

> <COMMON_NAME>
Kushenol W

> <SYSTEMATIC_NAME>
5,7,2',4'-Tetrahydroxy-5'-methoxy-8-prenylflavanone

> <FORMULA>
C21H22O7

> <MASS>
386.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IPQQRODECSTJDH-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H22O7/c1-10(2)4-5-11-13(22)8-16(25)20-17(26)9-18(28-21(11)20)12-6-19(27-3)15(24)7-14(12)23/h4,6-8,18,22-25H,5,9H2,1-3H3

> <SMILES>
C1(O)C(C/C=C(/C)\C)=C2OC(C3C=C(OC)C(O)=CC=3O)CC(=O)C2=C(O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
197284

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608033

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 49840

> <CITATION>
10654410

$$$$