LMPK12110424
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0  0  0  0  0  0  0  0999 V2000
    8.6760    8.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6760    7.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5479    7.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4198    7.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4198    8.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5479    9.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2916    7.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1636    7.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1636    8.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2916    9.0805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2916    6.2821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0351    9.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9236    8.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8124    9.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8124   10.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9236   10.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0351   10.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5479    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5479   10.0874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6598   10.3853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6762   10.5904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6762   11.5970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5479   12.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8047   12.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8041    9.0805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9322    8.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9322    7.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8041    7.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9322    9.5836    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
  6 19  1  0  0  0  0
 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
  1 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28  2  1  0  0  0  0
 26 29  1  0  0  0  0
 26 30  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110424

> <COMMON_NAME>
Isolaxifolin

> <SYSTEMATIC_NAME>
5-Hydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methyl-2-butenyl)-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one

> <FORMULA>
C25H24O5

> <MASS>
404.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WPIGCIDOOFISOE-UHFFFAOYSA-N

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

> <SMILES>
C12OC(C)(C)C=CC1=C(O)C1C(=O)C=C(C3C=CC(O)=CC=3)OC=1C=2C/C=C(/C)\C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15677602

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 53865

> <CITATION>
-

$$$$