LMPK12070003
  LIPID_MAPS_STRUCTURE_DATABASE

 31 35  0  0  0  0  0  0  0  0999 V2000
    7.0995   10.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0995    9.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7994    8.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4992    9.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4992   10.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7994   10.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1990    8.8839    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8988    9.2880    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8988   10.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1990   10.5001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1990    8.0758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5987    8.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5987    8.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2985    7.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9983    8.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9983    8.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2985    9.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2985    6.8637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5987    6.4596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5987    5.6515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8988    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2985    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4992    8.4799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5987    9.6920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6982    7.6718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3997   10.5001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6999   10.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6999    9.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3997    8.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   10.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    9.6920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  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
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
 11 13  1  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
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
  7 23  1  6  0  0  0
  8 24  1  6  0  0  0
 15 25  1  0  0  0  0
  1 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29  2  1  0  0  0  0
 27 30  1  0  0  0  0
 27 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070003

> <COMMON_NAME>
Orientanol C

> <SYSTEMATIC_NAME>


> <FORMULA>
C25H26O6

> <MASS>
422.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MWXSRUJUWMLCJD-RPBOFIJWSA-N

> <INCHI>
InChI=1S/C25H26O6/c1-14(2)5-6-16-19(26)8-7-17-22(16)31-25(28)18-11-15-9-10-23(3,4)30-20(15)12-21(18)29-13-24(17,25)27/h5,7-12,26-28H,6,13H2,1-4H3/t24-,25+/m1/s1

> <SMILES>
C12OC(C)(C)C=CC=1C=C1[C@]3(O)OC4C(C/C=C(\C)/C)=C(O)C=CC=4[C@]3(O)COC1=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607512

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
3841

> <CITATION>
-

$$$$