LMPK12070025
  LIPID_MAPS_STRUCTURE_DATABASE

 26 30  0  0  0  0            999 V2000
    8.1438   -4.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1438   -5.8671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9620   -6.3395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7801   -5.8671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7801   -4.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9620   -4.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5983   -6.3395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4165   -5.8671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4165   -4.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5983   -4.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2344   -6.3394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2344   -7.3494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1090   -7.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9837   -7.3494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9837   -6.3394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1090   -5.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6009   -7.3492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3260   -4.4502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8587   -7.8545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7334   -7.3494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7334   -6.3394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8587   -5.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7334   -8.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5671   -6.8681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1325   -5.5671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9836   -6.6065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 16 11  1  0     0  0
  7 17  1  0     0  0
 12 17  1  0     0  0
  1 18  1  0     0  0
 14 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 21 22  2  0     0  0
 22 15  1  0     0  0
 20 23  1  0     0  0
 20 24  1  0     0  0
  8 25  1  6     0  0
  7 26  1  6     0  0
M  END
> <LM_ID>
LMPK12070025

> <COMMON_NAME>
Isoneorautenol

> <SYSTEMATIC_NAME>
3-Hydroxy-6'',6''-dimethylpyrano[2'',3'':9,8]pterocarpan

> <FORMULA>
C20H18O4

> <MASS>
322.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WTKJOOHYNMPGLE-KXBFYZLASA-N

> <INCHI>
InChI=1S/C20H18O4/c1-20(2)6-5-11-7-14-15-10-22-17-8-12(21)3-4-13(17)19(15)23-18(14)9-16(11)24-20/h3-9,15,19,21H,10H2,1-2H3/t15-,19-/m0/s1

> <SMILES>
C1(O)=CC2OC[C@@]3([H])C4C=C5C=CC(C)(C)OC5=CC=4O[C@@]3([H])C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
821442

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 132433

> <CITATION>
-

$$$$