LMPK12050202
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0     0  0            999 V2000
    8.7441    9.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7441    8.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5970    7.6474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4499    8.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4499    9.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5970    9.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3029    7.6474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1557    8.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1557    9.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3029    9.6172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0085    7.6476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0085    6.5945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9203    6.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8322    6.5945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8322    7.6476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9203    8.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3029    6.6629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5970    6.6629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8911    9.6172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0382    9.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0382    8.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8911    7.6474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5850    9.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7432    6.0687    0.0000 O   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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  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
  3 18  1  0  0  0  0
  1 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  2  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
 14 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050202

> <COMMON_NAME>
Alpinumisoflavone

> <SYSTEMATIC_NAME>
5-Hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one

> <FORMULA>
C20H16O5

> <MASS>
336.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RQAMSFTXEFSBPK-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H16O5/c1-20(2)8-7-13-15(25-20)9-16-17(18(13)22)19(23)14(10-24-16)11-3-5-12(21)6-4-11/h3-10,21-22H,1-2H3

> <SMILES>
C12OC(C)(C)C=CC1=C(O)C1C(=O)C(C3C=CC(O)=CC=3)=COC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
69746

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5490139

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3852

> <CITATION>
-

$$$$