LMPK12080061
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0  0  0  0  0  0  0  0999 V2000
    8.7284    9.1288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7284    8.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5739    7.6641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4196    8.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4196    9.1288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5739    9.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2652    7.6641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1108    8.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1108    9.1288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2652    9.6171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8830    9.6168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9565    7.6641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9565    6.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8606    6.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7647    6.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7647    7.6641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8606    8.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1108    6.1319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6103    6.1319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0371    9.1288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0371    8.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8827    7.6641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5488    9.9745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.1288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5739    6.6876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6600    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 25 26  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  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
  1 11  1  0  0  0  0
  8 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 17  2  0  0  0  0
 17 12  1  0  0  0  0
 13 18  1  0  0  0  0
 19 15  1  0  0  0  0
 11 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22  2  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
  3 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12080061

> <COMMON_NAME>
Neorauflavene

> <SYSTEMATIC_NAME>
4-(5-Methoxy-8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b'] dipyran-3-yl)-1,3-benzenediol

> <FORMULA>
C21H20O5

> <MASS>
352.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LDZFETFUTCHVSH-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H20O5/c1-21(2)7-6-15-19(26-21)10-18-16(20(15)24-3)8-12(11-25-18)14-5-4-13(22)9-17(14)23/h4-10,22-23H,11H2,1-3H3

> <SMILES>
C12OC(C)(C)C=CC1=C(OC)C1C=C(C3C=CC(O)=CC=3O)COC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257523

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 167619

> <CITATION>
-

$$$$