LMFA01031251
  LIPID_MAPS_STRUCTURE_DATABASE

 20 19  0     0  0            999 V2000
   -0.4308   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4308   -0.7461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4308    0.7461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2987   -0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1670   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0353   -0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9035   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7718   -0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6402   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5084   -0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3767   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2450   -0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1133   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9817    0.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8499    0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7182    1.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5866    1.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4548    2.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3231    2.7360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1875    2.2331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  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 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  3  0  0  0  0
 14 15  1  0  0  0  0
 15 16  3  0  0  0  0
 16 17  1  0  0  0  0
 17 18  3  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0     0  0
M  END
> <LM_ID>
LMFA01031251

> <COMMON_NAME>
Protegenin D

> <SYSTEMATIC_NAME>
9E-octadecen-11,13,15-triynoic acid

> <FORMULA>
C18H22O2

> <MASS>
270.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PLZROFQCSOFQAY-MDZDMXLPSA-N

> <INCHI>
InChI=1S/C18H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2,11-17H2,1H3,(H,19,20)/b10-9+

> <SMILES>
C(CCCCCCC/C=C/C#CC#CC#CCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:7

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
170990156

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1420599

> <CITATION>
34015911

$$$$