LMPR0103890004
  LIPID_MAPS_STRUCTURE_DATABASE

 19 21  0     0  0            999 V2000
    9.6238    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8150    8.3116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4330    8.3116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1241    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3150    9.8504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0058    8.8994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3150    9.8504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5058    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5058    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1967    8.3118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7270   10.6595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1339   11.5730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   10.5549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4330    9.4872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8643    6.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1969    9.4872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1240    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1240    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9899    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  2  4  1  6  0  0  0
  3 17  1  0  0  0  0
 17  4  1  0  0  0  0
  5  1  1  0  0  0  0
  1  2  1  0  0  0  0
  5  7  2  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2  6  1  0  0  0  0
  6 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  1 14  1  1  0  0  0
  8 15  1  6  0  0  0
  6 16  1  6  0  0  0
 17 18  1  0  0  0  0
 19 17  1  0  0  0  0
M  END
> <LM_ID>
LMPR0103890004

> <COMMON_NAME>
1-deoxypentalenic acid

> <SYSTEMATIC_NAME>
1-deoxypentalenic acid

> <FORMULA>
C15H22O2

> <MASS>
234.16

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Other sesquiterpenoids [PR010389]

> <SYNONYMS>


> <INCHI_KEY>
DCFDRCCHOOORSB-DSKWVYQCSA-N

> <INCHI>
InChI=1S/C15H22O2/c1-9-4-5-12-11(13(16)17)6-10-7-14(2,3)8-15(9,10)12/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,16,17)/t9-,10-,12+,15-/m1/s1

> <SMILES>
[C@@]12([H])[C@@]3([C@@]([H])(CC[C@H]3C)C(C(O)=O)=C1)CC(C)(C)C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
68832

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10988200

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33903

> <CITATION>
17017767

$$$$