LMPK12140036
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0  0  0  0            999 V2000
    9.0582   -7.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0582   -8.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9248   -8.5030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7916   -8.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7916   -7.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9248   -6.5012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6583   -8.5030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5251   -8.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5251   -7.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6583   -6.5012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3915   -6.5015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2749   -7.0114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1583   -6.5015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1583   -5.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2749   -4.9714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3915   -5.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6583   -9.3501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1914   -6.5012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0415   -4.9715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9248   -5.5008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0584   -5.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0584   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1920   -3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9248   -3.4999    0.0000 C   0  0  0  0  0  0  0  0  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
  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
 18  1  1  0  0  0  0
 14 19  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140036

> <COMMON_NAME>
Isobavachin

> <SYSTEMATIC_NAME>
(S)-2,3-Dihydro-7-hydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one

> <FORMULA>
C20H20O4

> <MASS>
324.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KYFBXCHUXFKMGQ-IBGZPJMESA-N

> <INCHI>
InChI=1S/C20H20O4/c1-12(2)3-8-15-17(22)10-9-16-18(23)11-19(24-20(15)16)13-4-6-14(21)7-5-13/h3-7,9-10,19,21-22H,8,11H2,1-2H3/t19-/m0/s1

> <SMILES>
C1(O)=C(C/C=C(\C)/C)C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186172

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
193679

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 429560

> <CITATION>
-

$$$$