LMPK12100019
  LIPID_MAPS_STRUCTURE_DATABASE

 29 31  0  0  0  0  0  0  0  0999 V2000
    7.0384    8.7831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7539    9.1961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4692    8.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4692    7.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2109    7.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9527    7.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9527    8.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2109    9.2116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0384    7.9574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7539    7.5444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2109    6.6425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4998    6.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4998    5.4107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2109    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9221    5.4107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9221    6.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6941    9.2112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7539   10.0224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0384   10.4355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7539    6.8384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3231    9.1957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6081    7.9574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3231    7.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3231    6.7026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0384   11.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7536   11.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3231   11.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6080    8.7815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  5 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
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 10 20  1  0  0  0  0
  1 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23  9  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 19 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 22 29  1  0  0  0  0
M  END
> <LM_ID>
LMPK12100019

> <COMMON_NAME>
Mesuol

> <SYSTEMATIC_NAME>
5,7-Dihydroxy-8-(3-methylbut-2-enyl)-6-isobutyryl-4-phenylcoumarin

> <FORMULA>
C24H24O5

> <MASS>
392.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IWUNXYBEJCJQHB-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C24H24O5/c1-13(2)10-11-16-22(27)20(21(26)14(3)4)23(28)19-17(12-18(25)29-24(16)19)15-8-6-5-7-9-15/h5-10,12,14,27-28H,11H2,1-4H3

> <SMILES>
C1(O)C(C(=O)C(C)C)=C(O)C2C(C3C=CC=CC=3)=CC(=O)OC=2C=1C/C=C(/C)\C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
188086

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5277586

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$