LMPK12070021
  LIPID_MAPS_STRUCTURE_DATABASE

 24 28  0     0  0            999 V2000
    8.4202    9.2796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4202    8.3088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2610    7.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1017    8.3088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1017    9.2796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2610    9.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9425    7.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7833    8.3088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7833    9.2796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9425    9.7650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6238    7.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6238    6.7855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5227    6.2665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4216    6.7855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4216    7.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5227    8.3425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9514    6.7859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3196    6.2671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5795    9.7650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7387    9.2796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7387    8.3088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5795    7.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1593    9.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.0979    0.0000 C   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
 14 18  1  0  0  0  0
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22  2  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070021

> <COMMON_NAME>
Neorautenol

> <SYSTEMATIC_NAME>
[7aR,(-)]-7a,12aalpha-Dihydro-3,3-dimethyl-3H,7H-benzofuro[3,2-c]pyrano[3,2-g][1]benzopyran-10-ol

> <FORMULA>
C20H18O4

> <MASS>
322.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OGFFMQWYZCTXCM-UHFFFAOYSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15382623

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 167619

> <CITATION>
-

$$$$