LMPK12070010
  LIPID_MAPS_STRUCTURE_DATABASE

 26 30  0  0  0  0  0  0  0  0999 V2000
    7.5208   12.3434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5208   11.3944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3427   10.9199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1644   11.3944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1644   12.3434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3427   12.8178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9862   10.9199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8080   11.3944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8080   12.3434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9862   12.8178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6294   10.9202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6294    9.9057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5081    9.3983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3868    9.9057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3868   10.9202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5081   11.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9887    9.9059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2645    9.3988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5081    8.3847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3858    7.8781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3858    6.8664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5098    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2618    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6184   12.6366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   11.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6184   11.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
  1 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26  2  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070010

> <COMMON_NAME>
Erybraedin E

> <SYSTEMATIC_NAME>
6a,11a-Dihydro-10-(3-methyl-2-butenyl)-6H-benzofuro[3,2-c]furo[3,2-g][1]benzopyran-9-ol

> <FORMULA>
C22H20O4

> <MASS>
348.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VAVHXRDWDOYXSV-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H20O4/c1-12(2)3-4-15-18(23)6-5-14-17-11-25-20-10-19-13(7-8-24-19)9-16(20)22(17)26-21(14)15/h3,5-10,17,22-23H,4,11H2,1-2H3

> <SMILES>
C12OC=CC1=CC1C3OC4C(C/C=C(/C)\C)=C(O)C=CC=4C3COC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
471690

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3841

> <CITATION>
8590641

$$$$