LMPK12140116
  LIPID_MAPS_STRUCTURE_DATABASE

 31 33  0  0  0  0  0  0  0  0999 V2000
    9.3293    8.9666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3530    7.9415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3439    7.4505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1788    7.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1969    9.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2717    9.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1413    7.4194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0004    7.9306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9887    9.0351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1167    9.5238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8997    9.5610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7809    9.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6878    9.5766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7139   10.6281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8065   11.1761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8879   10.6658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1413    6.4737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4184    9.4926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3439    6.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2717   10.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2895   11.1442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4575   10.6638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6501   11.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7579   10.6148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   11.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2895   12.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9835   12.4306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5631   12.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7809    8.1981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5178    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7579    9.7345    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  6  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
  6 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 21 26  1  1  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 12 29  1  0  0  0  0
 19 30  1  0  0  0  0
 24 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140116

> <COMMON_NAME>
Kushenol R

> <SYSTEMATIC_NAME>
(2S)-7,2'-Dihydroxy-8-lavandulyl-5-methoxyflavanone

> <FORMULA>
C26H30O5

> <MASS>
422.21

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NREGVTHCHKOXLC-HXOBKFHXSA-N

> <INCHI>
InChI=1S/C26H30O5/c1-15(2)10-11-17(16(3)4)12-19-21(28)13-24(30-5)25-22(29)14-23(31-26(19)25)18-8-6-7-9-20(18)27/h6-10,13,17,23,27-28H,3,11-12,14H2,1-2,4-5H3/t17-,23+/m1/s1

> <SMILES>
C1(O)C(C[C@H](C(C)=C)C/C=C(\C)/C)=C2O[C@H](C3C=CC=CC=3O)CC(=O)C2=C(OC)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607847

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 49840

> <CITATION>
10654410

$$$$