LMPR0103540002
  LIPID_MAPS_STRUCTURE_DATABASE

 23 26  0     0  0            999 V2000
    7.8023    9.2356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8023    8.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6321    7.7981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4620    8.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4620    9.2356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6321    9.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3734    7.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9367    8.7564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3734    9.5317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6321    6.8398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8023    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4620    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6696    7.0698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6321   10.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9723    9.7148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9723   10.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3734   10.6748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9723    7.7981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1321    8.7564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946   11.3507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6321   11.5115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3422   10.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0199    8.7177    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  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  1  0  0  0
  7  8  1  0  0  0  0
  9  8  1  1  0  0  0
  9  5  1  0  0  0  0
  3 10  1  6  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  7 13  2  0  0  0  0
  6 14  1  0  0  0  0
  1 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 14  1  0  0  0  0
  9 17  1  0  0  0  0
 14 17  1  0  0  0  0
  2 18  1  1  0  0  0
  1 19  1  6  0  0  0
 16 20  2  0  0  0  0
 14 21  1  6  0  0  0
  6 22  1  6  0  0  0
  5 23  1  6  0  0  0
M  END
> <LM_ID>
LMPR0103540002

> <COMMON_NAME>
Flakinin A

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H20O5

> <MASS>
280.13

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Picrotoxane sesquiterpenoids [PR010354]

> <SYNONYMS>


> <INCHI_KEY>
ARTRGGOHXKOVOA-MPGIMBTLSA-N

> <INCHI>
InChI=1S/C15H20O5/c1-5(2)8-9-10-7(19-14(9)18)4-6-13(17)20-12(11(8)16)15(6,10)3/h5-12,16H,4H2,1-3H3/t6-,7-,8+,9+,10+,11-,12-,15+/m1/s1

> <SMILES>
[C@]12([H])OC(=O)[C@@]3([H])C[C@@H]4[C@]([H])([C@@]13C)[C@@H](C(=O)O4)[C@H](C(C)C)[C@H]2O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179838

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10588810

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
37818

> <CITATION>
11820763

$$$$