LMPK12110423
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0  0  0  0  0  0  0  0999 V2000
    9.5244    8.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5244    7.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3915    7.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2587    7.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2587    8.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3915    9.0644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1258    7.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9930    7.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9930    8.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1258    9.0644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1258    6.2809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8599    9.0640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7438    8.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6277    9.0640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6277   10.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7438   10.5949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8599   10.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3915    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6575    7.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7906    7.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9256    7.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9256    6.0640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4280   10.4504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3915   10.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5244   10.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6571   10.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6571    9.0644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0464   11.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6845   10.0656    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
  3 18  1  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 24 15  1  0  0  0  0
  6 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28  1  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110423

> <COMMON_NAME>
Laxifolin

> <SYSTEMATIC_NAME>
5-Hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-6-(3-methyl-2-butenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one

> <FORMULA>
C25H24O5

> <MASS>
404.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CTDQJDORDWMCLR-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H24O5/c1-14(2)5-10-17-22(28)21-19(27)13-20(15-6-8-16(26)9-7-15)29-24(21)18-11-12-25(3,4)30-23(17)18/h5-9,11-13,26,28H,10H2,1-4H3

> <SMILES>
C12OC(C)(C)C=CC=1C1OC(C3C=CC(O)=CC=3)=CC(=O)C=1C(O)=C2C/C=C(\C)/C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15677604

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 53865

> <CITATION>
-

$$$$