LMPK12140040
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0            999 V2000
   10.4105   -6.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4105   -7.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2555   -7.6494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1005   -7.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1005   -6.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2555   -5.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9456   -7.6494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7905   -7.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7905   -6.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9456   -5.6980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6355   -5.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4966   -6.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3578   -5.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3578   -4.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4967   -4.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6355   -4.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9456   -8.6252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2029   -4.2156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5654   -7.6494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7203   -7.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8754   -7.6494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8754   -8.6252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0304   -7.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5654   -5.6980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5654   -4.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 24 25  1  0     0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  1  2  0     0  0
  4  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  5  1  0     0  0
  9 11  1  6     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 16 11  1  0     0  0
  7 17  2  0     0  0
 14 18  1  0     0  0
  2 19  1  0     0  0
 19 20  1  0     0  0
 20 21  2  0     0  0
 21 22  1  0     0  0
 21 23  1  0     0  0
  1 24  1  0     0  0
M  END
> <LM_ID>
LMPK12140040

> <COMMON_NAME>
Bavachinin

> <SYSTEMATIC_NAME>
(S)-2,3-Dihydro-2-(4-hydroxyphenyl)-7-methoxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one

> <FORMULA>
C21H22O4

> <MASS>
338.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VOCGSQHKPZSIKB-FQEVSTJZSA-N

> <INCHI>
InChI=1S/C21H22O4/c1-13(2)4-5-15-10-17-18(23)11-20(14-6-8-16(22)9-7-14)25-21(17)12-19(15)24-3/h4,6-10,12,20,22H,5,11H2,1-3H3/t20-/m0/s1

> <SMILES>
C1(OC)=CC2O[C@H](C3C=CC(O)=CC=3)CC(=O)C=2C=C1C/C=C(/C)\C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
184255

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10337211

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 429560

> <CITATION>
-

$$$$