LMPR0104020001
  LIPID_MAPS_STRUCTURE_DATABASE

 21 21  0  0  0  0  0  0  0  0999 V2000
    5.7144    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    6.2375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4289    6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2868    6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0013    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7157    6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4302    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1447    6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8592    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5737    6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2881    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7157    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5737    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0026    6.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
  7 17  1  0  0  0  0
  2 18  1  0  0  0  0
 11 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  2  0  0  0  0
M  END
> <LM_ID>
LMPR0104020001

> <COMMON_NAME>
Helicallenal

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H30O

> <MASS>
286.23

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C20 isoprenoids (diterpenes) [PR0104]

> <CLASS_LEVEL4>
Prenylbisabolane and cyclophytane diterpenoids [PR010402]

> <SYNONYMS>


> <INCHI_KEY>
SOXVEHBWUOFNNT-NFZAWOQKSA-N

> <INCHI>
InChI=1S/C20H30O/c1-16(7-5-9-18(3)15-21)8-6-10-19(4)20-13-11-17(2)12-14-20/h8-11,15,20H,5-7,12-14H2,1-4H3/b16-8+,18-9+,19-10+

> <SMILES>
C1CC(/C(/C)=C/C/C=C(\C)/CC/C=C(\C)/C=O)CCC=1C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
193445

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608207

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$