LMFA08020360
  LIPID_MAPS_STRUCTURE_DATABASE

 34 36  0     0  0            999 V2000
    5.7023   -5.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5881   -6.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5881   -7.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7023   -7.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8165   -7.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8165   -6.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0564   -5.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4724   -4.4159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4896   -4.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4739   -5.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4739   -7.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3597   -6.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2455   -5.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1313   -6.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0171   -5.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9030   -6.0347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0171   -4.5005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3597   -7.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2455   -7.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1313   -7.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0171   -7.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7887   -5.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2045   -5.1215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2723   -6.5023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7887   -4.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6548   -4.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6548   -3.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5208   -2.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3869   -3.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3869   -4.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5208   -4.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0171   -8.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1511   -9.0690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8831   -9.0690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  1  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9  1  1  0     0  0
  2 10  1  1     0  0
  3 11  1  6     0  0
 10 12  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 15 17  2  0     0  0
 11 18  2  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 16 22  1  0     0  0
  1 23  1  6     0  0
  6 24  1  1     0  0
 22 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  2  0     0  0
 28 29  1  0     0  0
 29 30  2  0     0  0
 30 31  1  0     0  0
 31 26  2  0     0  0
 21 32  1  0     0  0
 32 33  1  0     0  0
 32 34  2  0     0  0
M  END
> <LM_ID>
LMFA08020360

> <COMMON_NAME>
Aplidic acid C

> <SYSTEMATIC_NAME>
(E)-6-[(3aR,4R,5R,7aS)-4-[(1E,3E)-5-oxo-5-(2-phenylethylamino)penta-1,3-dienyl]-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]hex-5-enoic acid

> <FORMULA>
C28H35NO3

> <MASS>
433.26

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty amides [FA08]

> <SUB_CLASS>
N-acyl amines [FA0802]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FAGHADWDEDDYSS-ZFTNNBPWSA-N

> <INCHI>
InChI=1S/C28H35NO3/c30-27(29-21-20-22-10-3-1-4-11-22)16-8-7-14-25-23(12-5-2-6-17-28(31)32)18-19-24-13-9-15-26(24)25/h1,3-5,7-8,10-12,14,16,18-19,23-26H,2,6,9,13,15,17,20-21H2,(H,29,30)(H,31,32)/b12-5+,14-7+,16-8+/t23-,24+,25+,26-/m1/s1

> <SMILES>
[C@@]12([H])CCC[C@@]1([H])C=C[C@@H](/C=C/CCCC(=O)O)[C@@H]2/C=C/C=C/C(=O)NCCC1=CC=CC=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
NA 28:11;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
46882294

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Dicarboxylic acids [FA0117]; Unsaturated fatty acids [FA0103]; Carbocyclic fatty acids [FA0114]

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
2621823

> <CITATION>
19783438

$$$$