LMPK13090023
  LIPID_MAPS_STRUCTURE_DATABASE

 21 22  0  0  0  0  0  0  0  0999 V2000
    6.2689    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9833    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9833    8.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1268    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8412    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8412    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5557    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2702    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2702    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5557    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9833    8.9600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.4850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9846    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1268    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8413    8.1350    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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  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  9  2  0  0  0  0
  6 15  1  0  0  0  0
  2 16  1  0  0  0  0
 12 17  1  0  0  0  0
  8 18  1  0  0  0  0
  7 19  1  0  0  0  0
 19 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK13090023

> <COMMON_NAME>
alpha,alpha'-diethyl-3,4,4'-stilbenetriol

> <SYSTEMATIC_NAME>


> <FORMULA>
C18H20O3

> <MASS>
284.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Aromatic polyketides [PK13]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3,4,4'-trihydroxy-alpha,alpha'-diethylstilbene; (E)-4-[1-ethyl-2-(4-hydroxyphenyl)-1-butenyl]-1,2-benzenediol

> <INCHI_KEY>
KEEHONPEZXWUDM-ISLYRVAYSA-N

> <INCHI>
InChI=1S/C18H20O3/c1-3-17(12-5-7-14(19)8-6-12)18(4-2)13-9-15(20)11-16(21)10-13/h5-11,19-21H,3-4H2,1-2H3/b18-17+

> <SMILES>
C1=C(O)C=C(/C(/CC)=C(\CC)/C2=CC=C(O)C=C2)C=C1O

> <KEGG_ID>
C14740

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608138

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$