LMPK12050337
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0     0  0            999 V2000
    8.6062    9.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6062    9.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4547    8.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3033    9.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3033    9.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4547   10.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1518    8.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0004    9.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0004    9.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1518   10.4700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8489    8.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8489    7.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7563    6.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6635    7.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6635    8.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7563    9.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1518    7.5304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5121    6.9727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7576   10.4700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4547   11.4495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6062   11.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7576   11.4497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2677   12.2983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7778   11.4497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7576    8.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7576    7.5304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9092    7.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9092    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.5304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4547    7.5304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5447    6.9012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 30 31  1  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
  8 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
 19  1  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 19  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
  2 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
  3 30  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050337

> <COMMON_NAME>
Scandinone

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

> <FORMULA>
C26H26O5

> <MASS>
418.18

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Nallanin

> <INCHI_KEY>
OUZCFMSJGDEXRT-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C26H26O5/c1-15(2)6-11-18-23-19(12-13-26(3,4)31-23)25-21(24(18)29-5)22(28)20(14-30-25)16-7-9-17(27)10-8-16/h6-10,12-14,27H,11H2,1-5H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
169372

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
634141

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1225699

> <CITATION>
-

$$$$