LMPR0103420001
  LIPID_MAPS_STRUCTURE_DATABASE

 21 23  0  0  0  0  0  0  0  0999 V2000
    6.4436    7.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9559    7.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6374    8.5535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6240    7.6923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0444    7.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7839    7.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6968    6.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9350    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3867    8.9057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4052    9.3505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3075    8.4495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    6.9930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0362    6.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3065    7.7350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3648    5.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1318    8.5437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3953    9.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8160    6.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3609    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3482    7.8226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5983    7.0850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  1  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  6  0  0  0
  4 11  1  0  0  0  0
  4 12  2  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  1  0  0  0
 13 18  2  0  0  0  0
 15 19  2  0  0  0  0
  8 11  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
  2 20  1  6  0  0  0
  6 21  1  6  0  0  0
M  END
> <LM_ID>
LMPR0103420001

> <COMMON_NAME>
Parthenin

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H18O4

> <MASS>
262.12

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Pseudoguaiane sesquiterpenoids [PR010342]

> <SYNONYMS>


> <INCHI_KEY>
LLQCRTZROWMVOL-JISBIHODSA-N

> <INCHI>
InChI=1S/C15H18O4/c1-8-4-5-10-9(2)13(17)19-12(10)14(3)11(16)6-7-15(8,14)18/h6-8,10,12,18H,2,4-5H2,1,3H3/t8-,10-,12+,14-,15+/m0/s1

> <SMILES>
[C@@]12(C)C(=O)C=C[C@@]1(O)[C@@H](C)CC[C@@]1([H])C(C(=O)O[C@@]21[H])=C

> <KEGG_ID>
C09523

> <HMDB_ID>
-

> <CHEBI_ID>
7938

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
442288

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$