LMPK12070097
  LIPID_MAPS_STRUCTURE_DATABASE

 28 32  0  0  0  0            999 V2000
   10.0734   -5.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0734   -6.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8984   -6.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7235   -6.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7235   -5.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8984   -4.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5486   -6.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3737   -6.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3737   -5.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5486   -4.8403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1983   -6.7455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1983   -7.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0803   -8.2733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9625   -7.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9625   -6.7455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0803   -6.2362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5572   -7.7638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2485   -4.8403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4235   -5.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4235   -6.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2485   -6.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9472   -4.4916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4708   -5.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7877   -8.2404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8984   -7.6983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9580   -8.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0147   -5.7266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9325   -7.1885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 25 26  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  1  2  0     0  0
  4  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  5  1  0     0  0
  8 11  1  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 16 11  2  0     0  0
  7 17  1  0     0  0
  1  2  1  0     0  0
 12 17  1  0     0  0
  1 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 21  2  0     0  0
 21  2  1  0     0  0
 19 22  1  0     0  0
 19 23  1  0     0  0
 14 24  1  0     0  0
  3 25  1  0     0  0
  7 28  1  1     0  0
  8 27  1  1     0  0
M  END
> <LM_ID>
LMPK12070097

> <COMMON_NAME>
Edulenanol

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H20O5

> <MASS>
352.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OHJQLSXZAOJGEK-VLIAUNLRSA-N

> <INCHI>
InChI=1S/C21H20O5/c1-21(2)7-6-13-16(26-21)9-17-18(19(13)23-3)20-14(10-24-17)12-5-4-11(22)8-15(12)25-20/h4-9,14,20,22H,10H2,1-3H3/t14-,20+/m1/s1

> <SMILES>
C12OC(C)(C)C=CC1=C(OC)C1[C@@]3([H])OC4=CC(O)=CC=C4[C@@]3([H])COC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257471

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1888375

> <CITATION>
-

$$$$