LMFA07040215
  LIPID_MAPS_STRUCTURE_DATABASE

 21 21  0     0  0            999 V2000
   -0.4311    0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4311    0.7466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4311   -0.7466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2996    0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1685    0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0374    0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9063    0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7752    0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6441    0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5130    0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2995    1.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4334    2.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    3.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4327    3.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4585    0.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0604    1.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4868    2.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5305    1.7465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8123    2.9844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0602    1.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7509   -0.5352    0.0000 O   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  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  4 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 10 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 10  1  0     0  0
 17 19  2  0     0  0
 16 20  1  1     0  0
 15 21  1  1     0  0
 10  9  1  6  0  0  0
M  END
> <LM_ID>
LMFA07040215

> <COMMON_NAME>
Asperbutanolide A

> <SYSTEMATIC_NAME>


> <FORMULA>
C16H22O5

> <MASS>
294.15

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Lactones [FA0704]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SVYRBZGYKWVZLC-KBMHBKAWSA-N

> <INCHI>
InChI=1S/C16H22O5/c1-3-4-8-12(15(18)19)9-6-5-7-10-13-14(17)11(2)16(20)21-13/h5-7,9-11,13-14,17H,3-4,8H2,1-2H3,(H,18,19)/b6-5+,10-7+,12-9+/t11-,13-,14+/m1/s1

> <SMILES>
C(/C(/CCCC)=C/C=C/C=C/[C@H]1OC(=O)[C@H](C)[C@@H]1O)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 16:5;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <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>
Unsaturated fatty acids [FA0103]; Hydroxy fatty acids [FA0105]; Branched fatty acids [FA0102]

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
1220209

> <CITATION>
40490501

$$$$