LMPK12140209
  LIPID_MAPS_STRUCTURE_DATABASE

 29 32  0  0  0  0  0  0  0  0999 V2000
    9.2951    8.4893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3180    7.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2755    7.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0824    7.5185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0999    8.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2058    9.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0126    6.9942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8427    7.4882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8314    8.5557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9888    9.0278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7117    9.0639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5632    8.5877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4396    9.0787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4649   10.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5879   10.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7005   10.1315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0126    6.0803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1796   10.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2198   10.6357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3093   10.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3296    8.9476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5574   10.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5661    9.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4351    6.9891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5979    7.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7508    6.9836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7508    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.3820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2755    6.0805    0.0000 O   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  6  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
  6 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21  1  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
  2 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
  3 29  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140209

> <COMMON_NAME>
Spinoflavanone A

> <SYSTEMATIC_NAME>
5-Hydroxy-6-(3-methyl-1,3-butadienyl)-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone

> <FORMULA>
C25H24O4

> <MASS>
388.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VNAMEPIGUQHBIR-CFGKVWFZSA-N

> <INCHI>
InChI=1S/C25H24O4/c1-15(2)10-11-17-22(27)21-19(26)14-20(16-8-6-5-7-9-16)28-24(21)18-12-13-25(3,4)29-23(17)18/h5-13,20,27H,1,14H2,2-4H3/b11-10+/t20-/m0/s1

> <SMILES>
C12OC(C)(C)C=CC=1C1O[C@H](C3C=CC=CC=3)CC(=O)C=1C(O)=C2/C=C/C(C)=C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607885

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 47097

> <CITATION>
-

$$$$