LMPR0103740003
  LIPID_MAPS_STRUCTURE_DATABASE

 21 24  0     0  0            999 V2000
    8.4120    8.9218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4120    7.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3570    7.6212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9411    8.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3570    9.2290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4670    9.2290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8829    8.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4670    7.6212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9348    8.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0224    7.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5635    6.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8252    5.9844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8802    6.2915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6736    7.2633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1600   10.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1418    5.6265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6838    7.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1037    6.2762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4316    7.5644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4316    9.2855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4120    9.9218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  2  1  0  0  0  0
  4  9  1  0  0  0  0
  7 10  1  0  0  0  0
  3 11  1  6     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
  2 14  1  6     0  0
  6 15  1  1     0  0
 13 16  2  0     0  0
 14 17  1  0     0  0
 17 18  1  0     0  0
 14 18  1  1     0  0
  9 19  1  0     0  0
  9 20  2  0     0  0
  1 21  1  6     0  0
M  END
> <LM_ID>
LMPR0103740003

> <COMMON_NAME>
Pentalenolactone

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H16O5

> <MASS>
276.10

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C15 isoprenoids (sesquiterpenes) [PR0103]

> <CLASS_LEVEL4>
Pentalenane sesquiterpenoids [PR010374]

> <SYNONYMS>


> <INCHI_KEY>
NUPNVWUYFVEAIT-UJJBCWTCSA-N

> <INCHI>
InChI=1S/C15H16O5/c1-7-4-14-10(8(7)2)3-9(12(16)17)11(14)5-19-13(18)15(14)6-20-15/h3-4,8,10-11H,5-6H2,1-2H3,(H,16,17)/t8-,10-,11+,14-,15-/m1/s1

> <SMILES>
[C@@]12([H])[C@H](C)C(C)=C[C@]31[C@]1(OC1)C(=O)OC[C@H]3C(C(=O)O)=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
70816

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
24199350

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33903

> <CITATION>
17017767

$$$$