LMPK12120077
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0  0  0  0  0  0  0  0999 V2000
   11.6308    7.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6308    6.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3382    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0456    6.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0456    7.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3382    7.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0324    6.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7399    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3253    6.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6119    6.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3253    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6119    7.2980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9092    7.7038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2063    7.2980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2063    6.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9092    6.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7530    7.6959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9092    5.2695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5036    7.7038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8009    7.2980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8009    6.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5036    6.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0982    7.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.8357    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
 16 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 15  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120077

> <COMMON_NAME>
Isobavachromene

> <SYSTEMATIC_NAME>
4-Hydroxylonchocarpin

> <FORMULA>
C20H18O4

> <MASS>
322.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IQHPDUUSMBMDGN-WEVVVXLNSA-N

> <INCHI>
InChI=1S/C20H18O4/c1-20(2)12-11-16-18(24-20)10-8-15(19(16)23)17(22)9-5-13-3-6-14(21)7-4-13/h3-12,21,23H,1-2H3/b9-5+

> <SMILES>
C1=CC(O)=CC=C1/C=C/C(=O)C1C(O)=C2C=CC(C)(C)OC2=CC=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5889042

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$