LMPK12070048
  LIPID_MAPS_STRUCTURE_DATABASE

 27 32  0  0  0  0  0  0  0  0999 V2000
    8.6711    9.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6711    8.0705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4987    7.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3261    8.0705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3261    9.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4987    9.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1536    7.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9810    8.0705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9810    9.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1536    9.5037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8082    7.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8082    6.5715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6929    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5775    6.5715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5775    7.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6929    8.1039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1536    6.5717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8437    9.5037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0162    9.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0162    8.0705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8437    7.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5385    9.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    9.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5490    6.2558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1495    7.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5490    7.9087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1888    7.5927    0.0000 O   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
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  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
 14 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 15  1  0  0  0  0
 20 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070048

> <COMMON_NAME>
Neorautanol

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H20O6

> <MASS>
368.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CWGQQELECQFCDS-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H20O6/c1-21(2)19(22)4-10-3-12-15(6-14(10)27-21)23-8-13-11-5-17-18(25-9-24-17)7-16(11)26-20(12)13/h3,5-7,13,19-20,22H,4,8-9H2,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257447

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1888375

> <CITATION>
-

$$$$