LMPK12070002
  LIPID_MAPS_STRUCTURE_DATABASE

 27 30  0  0  0  0  0  0  0  0999 V2000
    7.0923    8.4689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0923    7.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7898    7.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    7.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    8.4689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7898    8.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1847    7.2609    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8822    7.6635    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8822    8.4689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1847    8.8716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1847    6.4555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5796    7.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5796    6.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2771    6.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9745    6.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9745    7.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2771    7.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3949    8.8716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    6.8582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5796    8.0662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6720    6.0528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6974    8.4689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3949    7.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3949    6.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6974    6.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6974    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.4555    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
  1 18  1  0  0  0  0
  7 19  1  6  0  0  0
  8 20  1  6  0  0  0
 15 21  1  0  0  0  0
 18 22  1  0  0  0  0
  2 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070002

> <COMMON_NAME>
Orientanol B

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H22O6

> <MASS>
370.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ISOLZQOIKIVKTK-RTWAWAEBSA-N

> <INCHI>
InChI=1S/C21H22O6/c1-12(2)4-5-13-8-16-18(10-17(13)25-3)26-11-20(23)15-7-6-14(22)9-19(15)27-21(16,20)24/h4,6-10,22-24H,5,11H2,1-3H3/t20-,21+/m1/s1

> <SMILES>
C1(OC)C=C2OC[C@@]3(O)C4C=CC(O)=CC=4O[C@@]3(O)C2=CC=1C/C=C(\C)/C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607511

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
3841

> <CITATION>
-

$$$$