LMPR0103890002
  LIPID_MAPS_STRUCTURE_DATABASE

 20 22  0     0  0            999 V2000
    9.3150    9.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3150    9.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0059    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8150    8.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6239    8.8993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1237    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1237    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4328    8.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1968    8.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5059    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5059    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1237    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
    9.0059    6.4947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2987    9.6066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3308    9.6066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7987    6.6536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7271   10.6596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1340   11.5730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   10.5551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  1  2  2  0  0  0  0
  4  6  1  6  0  0  0
  5  4  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
 11  4  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
 11 14  1  6  0  0  0
  3 15  1  6  0  0  0
  5 16  1  1  0  0  0
 10 17  1  6  0  0  0
  2 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
M  END
> <LM_ID>
LMPR0103890002

> <COMMON_NAME>
1-deoxy-11beta-hydroxypentalenic acid

> <SYSTEMATIC_NAME>
1-deoxy-11beta-hydroxypentalenic acid

> <FORMULA>
C15H22O3

> <MASS>
250.16

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Other sesquiterpenoids [PR010389]

> <SYNONYMS>


> <INCHI_KEY>
IZHNAGBQRXWHMT-QLLAZOAUSA-N

> <INCHI>
InChI=1S/C15H22O3/c1-8-12(16)5-11-10(13(17)18)4-9-6-14(2,3)7-15(8,9)11/h4,8-9,11-12,16H,5-7H2,1-3H3,(H,17,18)/t8-,9-,11+,12-,15-/m1/s1

> <SMILES>
C1=C(C(O)=O)[C@]2([H])C[C@@H](O)[C@@H](C)[C@@]32[C@@]1([H])CC(C)(C)C3

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
70796

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
70679016

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33903

> <CITATION>
17017767

$$$$