LMPK12160023
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
    8.7390    9.1411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7390    8.1607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5880    7.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4371    8.1607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4371    9.1411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5880    9.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2862    7.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1352    8.1607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1352    9.1411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2862    9.6314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9843    7.6705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9843    6.6223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8921    6.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7998    6.6223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7998    7.6705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8921    8.1946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9843    9.6314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8899    9.6314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0410    9.1411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0410    8.1607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8899    7.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5507    9.9902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.1411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2862    6.6901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6488    6.1322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5880   10.6119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4371   11.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4371   12.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5880   12.5726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2862   12.5726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5880    6.6903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6786    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 31 32  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  2  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
  1  2  1  0  0  0  0
  9 17  2  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21  2  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
  7 24  1  0  0  0  0
 25 14  1  0  0  0  0
  6 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
  3 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12160023

> <COMMON_NAME>
Lonchocarpic acid

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

> <FORMULA>
C26H26O6

> <MASS>
434.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Other Flavonoids [PK1216]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Chandanin

> <INCHI_KEY>
QKTFIWUHGFCLHF-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C26H26O6/c1-14(2)6-11-17-22-18(12-13-26(3,4)32-22)23(30-5)20-21(28)19(25(29)31-24(17)20)15-7-9-16(27)10-8-15/h6-10,12-13,27-28H,11H2,1-5H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
109550

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
54683839

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 53864

> <CITATION>
-

$$$$