LMPK12050496
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0     0  0            999 V2000
   10.3387    9.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3387    8.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1943    7.6450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0499    8.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0499    9.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1943    9.6209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9054    7.6450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7611    8.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7611    9.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9054    9.6209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6166    7.6450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6166    6.5888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5313    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4461    6.5888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4461    7.6450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5313    8.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9054    6.6571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7611    6.0948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1943    6.6571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3018    6.0948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4830    9.6209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6275    9.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6275    8.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4830    7.6450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6275   10.1147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7718    9.6209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7718   10.6088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9163   11.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9163   12.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   12.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7718   12.5848    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  1  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  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
  7 17  2  0  0  0  0
 12 18  1  0  0  0  0
  3 19  1  0  0  0  0
 20 14  1  0  0  0  0
 21  1  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24  2  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050496

> <COMMON_NAME>
Lespedeol B

> <SYSTEMATIC_NAME>
7-(2,4-Dihydroxyphenyl)-7,8-dihydro-5-hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one

> <FORMULA>
C25H26O6

> <MASS>
422.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CSZKAJDXUNNJKV-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H26O6/c1-14(2)5-4-9-25(3)10-8-17-20(31-25)12-21-22(23(17)28)24(29)18(13-30-21)16-7-6-15(26)11-19(16)27/h5-8,10-12,18,26-28H,4,9,13H2,1-3H3

> <SMILES>
C12OC(CC/C=C(\C)/C)(C)C=CC1=C(O)C1C(=O)C(C3=CC=C(O)C=C3O)COC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187664

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257393

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 701537

> <CITATION>
-

$$$$