LMFA08030004
  LIPID_MAPS_STRUCTURE_DATABASE

 17 17  0     0  0            999 V2000
   14.1619    8.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8625    7.9364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6787    7.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4791    7.9579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1599    8.9032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9275    7.9387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7946    7.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6616    7.9387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5288    7.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3958    7.9387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2629    7.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1298    7.9387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9918    7.4397    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1298    8.9420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3958    8.9420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6920    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  9  1  0  0  0  0
  4  5  1  0  0  0  0
  9 10  1  0  0  0  0
  5  1  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  1  2  1  0  0  0  0
 12 13  1  0  0  0  0
  6  7  1  0  0  0  0
 13 14  1  0  0  0  0
  2 14  1  1  0  0  0
  2  3  1  0  0  0  0
 13 15  2  0  0  0  0
  7  8  1  0  0  0  0
 11 16  2  0  0  0  0
  3  4  1  0  0  0  0
  3 17  2  0  0  0  0
M  END
> <LM_ID>
LMFA08030004

> <COMMON_NAME>
N-(3-oxo-octanoyl)-homoserine lactone

> <SYSTEMATIC_NAME>
N-(3-oxo-octanoyl)-homoserine lactone

> <FORMULA>
C12H19NO4

> <MASS>
241.13

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty amides [FA08]

> <SUB_CLASS>
Fatty acyl homoserine lactones [FA0803]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
N-(3-Oxooctanoyl)homoserine lactone

> <INCHI_KEY>
FXCMGCFNLNFLSH-JTQLQIEISA-N

> <INCHI>
InChI=1S/C12H19NO4/c1-2-3-4-5-9(14)8-11(15)13-10-6-7-17-12(10)16/h10H,2-8H2,1H3,(H,13,15)/t10-/m0/s1

> <SMILES>
C1[C@@H](C(=O)OC1)NC(=O)CC(=O)CCCCC

> <KEGG_ID>
C11841

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
10011206

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
127293

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Oxo fatty acids [FA0106]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
92647; 358

> <CITATION>
38842688; 8464475

$$$$