LMPK12080019
  LIPID_MAPS_STRUCTURE_DATABASE

 27 30  0  0  0  0  0  0  0  0999 V2000
   10.0759   -4.4902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0759   -5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8999   -5.9174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7239   -5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7239   -4.4902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8999   -4.0144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5479   -5.9174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3719   -5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3719   -4.4902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5479   -4.0144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1961   -5.9173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1961   -6.9348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0772   -7.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9583   -6.9348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9583   -5.9173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0772   -5.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7823   -7.4104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2521   -4.0146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4277   -4.4902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4277   -5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2519   -5.9174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4762   -4.4902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9520   -3.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0772   -8.3949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3719   -7.4104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9432   -8.8949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3718   -8.4104    0.0000 C   0  0  0  0  0  0  0  0  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
  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
 14 17  1  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
 13 24  1  0  0  0  0
 12 25  1  0  0  0  0
 24 26  1  0     0  0
 25 27  1  0     0  0
M  END
> <LM_ID>
LMPK12080019

> <COMMON_NAME>
Sphaerosinin

> <SYSTEMATIC_NAME>
(+)-4-[7,8-Dihydro-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-7-yl]-2,3-dimethoxyphenol

> <FORMULA>
C22H24O5

> <MASS>
368.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Spherosinin;  4'-hydroxy-2',3'-dimethoxy-2''2''-dimethylpyrano- 5'/',6'':6,7- isoflavan

> <INCHI_KEY>
DVQGSNPWOLEDRV-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H24O5/c1-22(2)8-7-13-9-14-10-15(12-26-18(14)11-19(13)27-22)16-5-6-17(23)21(25-4)20(16)24-3/h5-9,11,15,23H,10,12H2,1-4H3

> <SMILES>
C12OC(C)(C)C=CC1=CC1CC(C3=CC=C(O)C(OC)=C3OC)COC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5321428

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 47651

> <CITATION>
-

$$$$