LMPK12140056
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0  0  0  0  0  0  0  0999 V2000
    7.7961    8.6338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8190    7.6446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7754    7.1706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5812    7.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5986    8.6794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7055    9.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5103    7.1406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3395    7.6339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3282    8.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4865    9.1717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2073    9.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0578    8.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9333    9.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9584   10.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0825   10.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1960   10.2740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5103    6.2279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6639   10.6449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3957   10.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6795   10.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7209   10.7777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8114   10.2092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8317    9.0916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.6426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0692    9.7806    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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 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
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23  1  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140056

> <COMMON_NAME>
Dorspoinsettifolin

> <SYSTEMATIC_NAME>
4'-Methoxy-6'',6''-dimethyldihydropyrano[2'',3'':7,8]flavanone

> <FORMULA>
C21H20O4

> <MASS>
336.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WCVZOMYIGNKERA-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H20O4/c1-21(2)11-10-16-18(25-21)9-8-15-17(22)12-19(24-20(15)16)13-4-6-14(23-3)7-5-13/h4-11,19H,12H2,1-3H3

> <SMILES>
C12OC(C)(C)C=CC=1C1OC(C3C=CC(OC)=CC=3)CC(=O)C=1C=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
180255

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12109666

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 2605000

> <CITATION>
-

$$$$