LMPR0103620002
  LIPID_MAPS_STRUCTURE_DATABASE

 21 24  0  0  0  0  0  0  0  0999 V2000
    6.9744    7.9051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9744    7.0801    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6889    6.6676    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4034    7.0801    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4034    7.9051    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6889    8.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1880    6.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6729    7.4926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1880    8.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3874    7.9051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3874    7.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4034    8.7301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4034    6.2551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3614    6.5281    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6969    5.7744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5174    5.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9744    6.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.6996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0694    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2600    8.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5455    7.9051    0.0000 O   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  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  5 12  1  1  0  0  0
  4 13  1  1  0  0  0
  2 14  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  3 16  1  6  0  0  0
  2 17  1  1  0  0  0
  3 17  1  1  0  0  0
 14 18  1  0  0  0  0
 16 19  2  0  0  0  0
  1 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
> <LM_ID>
LMPR0103620002

> <COMMON_NAME>
(+)-Marmasmic acid

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H18O4

> <MASS>
262.12

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Isolactarane, merulane, lactarane and marasmane sesquiterpenoids [PR010362]

> <SYNONYMS>


> <INCHI_KEY>
BIUVCPLWWOLECJ-LIHVSQBMSA-N

> <INCHI>
InChI=1S/C15H18O4/c1-13(2)4-8-3-9(6-16)14-7-15(14,10(8)5-13)12(18)19-11(14)17/h3,6,8,10-11,17H,4-5,7H2,1-2H3/t8-,10+,11?,14+,15-/m1/s1

> <SMILES>
C1(C=O)=C[C@]2([H])CC(C)(C)C[C@]2([H])[C@@]23C[C@@]12C(O)OC3=O

> <KEGG_ID>
C09701

> <HMDB_ID>
-

> <CHEBI_ID>
6692

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
330358

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$