LMPK12070045
  LIPID_MAPS_STRUCTURE_DATABASE

 26 31  0  0  0  0  0  0  0  0999 V2000
    8.4240    9.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4240    8.0889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2591    7.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0942    8.0889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0942    9.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2591    9.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9293    7.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7643    8.0889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7643    9.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9293    9.5355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5991    7.6071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5991    6.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4921    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3849    6.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3849    7.6071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4921    8.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9382    6.5763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3655    6.2576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9715    7.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3655    7.9257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5889    9.5355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7538    9.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7538    8.0889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5889    7.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7538    9.8588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.6531    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
  7 17  1  0  0  0  0
  1  2  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  1  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24  2  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070045

> <COMMON_NAME>
Neorautenane

> <SYSTEMATIC_NAME>
rac-7aalpha*,13aalpha*-Dihydro-3,3-dimethyl-3H,7H-[1,3]dioxolo[5,6]benzofuro[3,2-c]pyrano[3,2-g][1]benzopyran

> <FORMULA>
C21H18O5

> <MASS>
350.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Neorautenaan

> <INCHI_KEY>
OYJSNPOSPVUTQQ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H18O5/c1-21(2)4-3-11-5-13-16(7-15(11)26-21)22-9-14-12-6-18-19(24-10-23-18)8-17(12)25-20(13)14/h3-8,14,20H,9-10H2,1-2H3

> <SMILES>
C12OC(C)(C)C=CC1=CC1C3OC4=CC5OCOC=5C=C4C3COC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
4253574

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1888375

> <CITATION>
-

$$$$