LMPK12050311
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0     0  0            999 V2000
    7.7805    9.1331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7805    8.1430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6378    7.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4951    8.1430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4951    9.1331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6378    9.6280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3525    7.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2099    8.1430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2099    9.1331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3525    9.6280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0669    7.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0669    6.5898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9836    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9001    6.5898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9001    7.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9836    8.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3525    6.6584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6378    6.6584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8159    6.0611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1511    6.0611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9541    9.6733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6378   10.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8002   11.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9627   10.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4971   11.4016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.3534    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  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
 14 19  1  0  0  0  0
 12 20  1  0  0  0  0
  1 21  1  0  0  0  0
  6 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 21  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050311

> <COMMON_NAME>
Parvisoflavone A

> <SYSTEMATIC_NAME>
3-(2,4-Dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one

> <FORMULA>
C20H16O6

> <MASS>
352.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FNSFANUGPIQSTR-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H16O6/c1-20(2)6-5-12-16(26-20)8-15(23)17-18(24)13(9-25-19(12)17)11-4-3-10(21)7-14(11)22/h3-9,21-23H,1-2H3

> <SMILES>
C12OC(C)(C)C=CC=1C1OC=C(C3C=CC(O)=CC=3O)C(=O)C=1C(O)=C2

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0034019

> <CHEBI_ID>
175498

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11710066

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 104316

> <CITATION>
-

$$$$