LMPR0103690004
  LIPID_MAPS_STRUCTURE_DATABASE

 17 19  0  0  0  0  0  0  0  0999 V2000
    6.2226    6.0420    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2226    6.8365    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4474    6.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4474    6.8530    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8008    7.4148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2226    7.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4474    7.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7844    8.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4670    7.0820    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0000    6.4392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4670    5.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2215    7.8376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2226    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6530    5.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2148    5.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6608    8.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    8.8808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  1  3  1  0  0  0  0
  2  5  1  6  0  0  0
  2  6  1  0  0  0  0
  4  7  1  0  0  0  0
  6  8  2  0  0  0  0
  8  7  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  1  1  0  0  0  0
  9 12  1  1  0  0  0
  1 13  1  1  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  6 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
> <LM_ID>
LMPR0103690004

> <COMMON_NAME>
(+)-4-Isocedren-15-al

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H22O

> <MASS>
218.17

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Cedrane and isocedrane sesquiterpenoids [PR010369]

> <SYNONYMS>


> <INCHI_KEY>
XKFZSRUWOAGKRT-UNFRMQPBSA-N

> <INCHI>
InChI=1S/C15H22O/c1-10-4-7-13-14(2,3)11-5-6-12(9-16)15(10,13)8-11/h6,9-11,13H,4-5,7-8H2,1-3H3/t10-,11?,13+,15+/m1/s1

> <SMILES>
[C@@]12([H])CC[C@@H](C)[C@]31C(C=O)=CC[C@@H](C3)C2(C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608182

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$