LMPK13090047
  LIPID_MAPS_STRUCTURE_DATABASE

 19 20  0     0  0            999 V2000
    6.9266    9.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266    8.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7925    7.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6586    8.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6586    9.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7925    9.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5246    7.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3907    8.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2566    7.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2566    6.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1227    6.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9888    6.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9888    7.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1227    8.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605    7.5605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7925   10.5605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3906    6.0605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3906    5.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605    9.5605    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
  2 15  1  0     0  0
  6 16  1  0     0  0
 10 17  1  0     0  0
 17 18  1  0     0  0
  1 19  1  0     0  0
M  END
> <LM_ID>
LMPK13090047

> <COMMON_NAME>
Stilbostemin D

> <SYSTEMATIC_NAME>


> <FORMULA>
C16H18O3

> <MASS>
258.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Aromatic polyketides [PK13]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LLRJCKLNDNKRTF-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H18O3/c1-11-14(17)9-12(10-15(11)18)7-8-13-5-3-4-6-16(13)19-2/h3-6,9-10,17-18H,7-8H2,1-2H3

> <SMILES>
C1(C)C(O)=CC(CCC2=CC=CC=C2OC)=CC=1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15222503

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
167572

> <CITATION>
32713205

$$$$