LMPK12120080
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0  0  0  0  0  0  0  0999 V2000
   13.2673    8.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2673    7.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1269    7.0504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9864    7.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9864    8.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1269    9.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3254    7.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1848    7.0504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4663    7.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5996    7.5660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4663    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5996    8.5518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7458    9.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8920    8.5518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8920    7.5660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7458    7.0729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8458    9.0352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7458    6.0871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7458   10.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8920   10.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0380   10.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0380    9.0448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3052   10.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.7688    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
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  2  8  1  0  0  0  0
 10 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 10  1  0  0  0  0
 17  5  1  0  0  0  0
 18 16  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 14  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120080

> <COMMON_NAME>
Bavachromene

> <SYSTEMATIC_NAME>
(E)-1-(7-Hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-3-(4-hydroxyphenyl)-2-propen-1-one

> <FORMULA>
C20H18O4

> <MASS>
322.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LYPURLGLYLCBSU-VMPITWQZSA-N

> <INCHI>
InChI=1S/C20H18O4/c1-20(2)10-9-14-11-16(18(23)12-19(14)24-20)17(22)8-5-13-3-6-15(21)7-4-13/h3-12,21,23H,1-2H3/b8-5+

> <SMILES>
C1=CC(O)=CC=C1/C=C/C(=O)C1C(O)=CC2OC(C)(C)C=CC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5321800

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 429560

> <CITATION>
-

$$$$