LMFA08030017
  LIPID_MAPS_STRUCTURE_DATABASE

 19 19  0     0  0            999 V2000
    8.3420    0.2473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1552   -0.3377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9649    0.2503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6537    1.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6503    1.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9734   -0.2777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8471    0.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7215   -0.2672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5949    0.2378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4741   -0.2571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1613   -1.2482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5891    1.2482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1022    0.2253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2312   -0.2777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3600    0.2253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4888   -0.2777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3823    0.2253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8471    1.2303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2505   -0.2759    0.0000 C   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
  6  7  1  0     0  0
  7  8  1  0     0  0
  4  5  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
  1 10  1  1     0  0
  5  1  1  0     0  0
  2 11  2  0     0  0
  9 12  2  0     0  0
  6 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
  7 18  2  0     0  0
 17 19  1  0     0  0
M  END
> <LM_ID>
LMFA08030017

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

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

> <FORMULA>
C14H23NO4

> <MASS>
269.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty amides [FA08]

> <SUB_CLASS>
Fatty acyl homoserine lactones [FA0803]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3O-C10-HSL

> <INCHI_KEY>
KYGIKEQVUKTKRR-LBPRGKRZSA-N

> <INCHI>
InChI=1S/C14H23NO4/c1-2-3-4-5-6-7-11(16)10-13(17)15-12-8-9-19-14(12)18/h12H,2-10H2,1H3,(H,15,17)/t12-/m0/s1

> <SMILES>
[C@@H]1(CCOC1=O)NC(=O)CC(=O)CCCCCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
184905

> <ABBREVIATION>
-

> <CAYMAN_ID>
13026

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10221060

> <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; 382

> <CITATION>
38842688; 12270827

$$$$