LMPK13090045
  LIPID_MAPS_STRUCTURE_DATABASE

 40 43  0     0  0            999 V2000
    6.9346    9.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9346    8.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8015    7.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6686    8.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6686    9.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8015    9.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5356    7.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4027    8.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2696    7.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2696    6.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1367    6.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0038    6.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0038    7.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1367    8.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5356    9.5716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8015    6.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0675    7.5693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8015   10.5727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9344   11.0733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3866    9.9970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3866   10.9982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2536   11.4988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1207   10.9982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1207    9.9970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2536    9.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4026    6.0675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4026    5.0664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2536    8.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9877    9.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9877    8.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8547    7.9948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7217    8.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5887    7.9948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5887    6.9936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7217    6.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8547    6.9936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2536   12.4999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1207   13.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7217    9.4965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5887    9.9970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  6  1  1  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 11  2  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
 14  9  2  0     0  0
  5 15  1  0     0  0
  3 16  1  0     0  0
  2 17  1  0     0  0
  6 18  1  0     0  0
 18 19  1  0     0  0
 15 20  1  0     0  0
 20 21  1  0     0  0
 21 22  2  0     0  0
 22 23  1  0     0  0
 23 24  2  0     0  0
 24 25  1  0     0  0
 25 20  2  0     0  0
 10 26  1  0     0  0
 26 27  1  0     0  0
 25 28  1  0     0  0
 24 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  2  0     0  0
 33 34  1  0     0  0
 34 35  2  0     0  0
 35 36  1  0     0  0
 36 31  2  0     0  0
 22 37  1  0     0  0
 37 38  1  0     0  0
 32 39  1  0     0  0
 39 40  1  0     0  0
M  END
> <LM_ID>
LMPK13090045

> <COMMON_NAME>
Stemobenoid B

> <SYSTEMATIC_NAME>


> <FORMULA>
C34H38O6

> <MASS>
542.27

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Aromatic polyketides [PK13]

> <SUB_CLASS>
Diphenyl ethers, biphenyls, dibenzyls and stilbenes [PK1309]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AUIQCZNJWGIXOM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C34H38O6/c1-22-26(16-15-24-11-7-9-13-30(24)37-4)19-27(36-3)20-32(22)40-34-28(23(2)29(35)21-33(34)39-6)18-17-25-12-8-10-14-31(25)38-5/h7-14,19-21,35H,15-18H2,1-6H3

> <SMILES>
C1C(OC)=C(OC2=C(C)C(CCC3=CC=CC=C3OC)=CC(OC)=C2)C(CCC2=CC=CC=C2OC)=C(C)C=1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171121179

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
167572

> <CITATION>
32713205

$$$$