LMPK12111984
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0  0  0  0  0  0  0  0999 V2000
    7.5982    8.8561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5982    7.8577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4628    7.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3275    7.8577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3275    8.8561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4628    9.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1922    7.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0569    7.8577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0569    8.8561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1922    9.3554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1922    6.5801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9211    9.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8023    8.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6836    9.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6836   10.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8023   10.8816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9211   10.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.4011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9580    7.3815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4628    6.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5645   10.8815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5645    8.8466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4438    9.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3230    8.8466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2021    9.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3230    7.8314    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
  7 11  2  0  0  0  0
  9 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 17  2  0  0  0  0
 17 12  1  0  0  0  0
 18  1  1  0  0  0  0
  8 19  1  0  0  0  0
  3 20  1  0  0  0  0
 15 21  1  0  0  0  0
 14 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111984

> <COMMON_NAME>
Isolicoflavonol

> <SYSTEMATIC_NAME>
3,5,7-Trihydroxy-2-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-4H-1-benzopyran-4-one

> <FORMULA>
C20H18O6

> <MASS>
354.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PGCKDCPTJAQQSQ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H18O6/c1-10(2)3-4-11-7-12(5-6-14(11)22)20-19(25)18(24)17-15(23)8-13(21)9-16(17)26-20/h3,5-9,21-23,25H,4H2,1-2H3

> <SMILES>
C1(O)=CC2OC(C3C=CC(O)=C(C/C=C(\C)/C)C=3)=C(O)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0037249

> <CHEBI_ID>
175544

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5318585

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 74613

> <CITATION>
3240445

$$$$