LMPK12070102
  LIPID_MAPS_STRUCTURE_DATABASE

 29 33  0  0  0  0            999 V2000
    9.3884   -3.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3884   -4.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2007   -4.5803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0131   -4.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0131   -3.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2007   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8255   -4.5803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6378   -4.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6378   -3.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8255   -2.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4498   -4.5801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4498   -5.5830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3186   -6.0845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1872   -5.5830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1872   -4.5801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3186   -4.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8341   -5.5828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5760   -2.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7636   -3.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7636   -4.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5760   -4.5803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2947   -2.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8256   -3.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2007   -5.5184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2441   -6.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9995   -6.0521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1879   -3.5864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2866   -4.9091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8656   -5.5521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 24 25  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  1  0     0  0
 21  2  1  0     0  0
 19 22  1  0     0  0
 19 23  1  0     0  0
  3 24  1  0     0  0
 14 26  1  0     0  0
  8 27  1  6     0  0
  7 28  1  6     0  0
 26 29  1  0     0  0
M  END
> <LM_ID>
LMPK12070102

> <COMMON_NAME>
Edulane

> <SYSTEMATIC_NAME>
(7aR)-2,3,7aalpha,12aalpha-Tetrahydro-10,13-dimethoxy-3,3-dimethyl-1H,7H-benzofuro[3,2-c]pyrano[ 3,2-g][1]benzopyran

> <FORMULA>
C22H24O5

> <MASS>
368.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QWZQKTKRYJMEKY-YCRPNKLZSA-N

> <INCHI>
InChI=1S/C22H24O5/c1-22(2)8-7-14-17(27-22)10-18-19(20(14)24-4)21-15(11-25-18)13-6-5-12(23-3)9-16(13)26-21/h5-6,9-10,15,21H,7-8,11H2,1-4H3/t15-,21+/m0/s1

> <SMILES>
C12OC(C)(C)CCC1=C(OC)C1[C@]3([H])OC4=CC(OC)=CC=C4[C@]3([H])COC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101324889

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 167619

> <CITATION>
-

$$$$