LMPR0104130005
  LIPID_MAPS_STRUCTURE_DATABASE

 23 26  0  0  0  0  0  0  0  0999 V2000
    7.7673    7.1748    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0802    7.5743    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4396    7.5743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7673    6.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4396    6.7826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3856    7.1785    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0604    8.3698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4422    8.3623    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0764    5.9722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1182    7.9703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3819    6.3754    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6909    7.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3780    7.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7514    8.7657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8689    8.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6909    5.9760    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0000    7.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2896    5.0315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0764    6.7863    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3780    5.5838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6673    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8964    5.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  6  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  8  3  1  6  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  6  0  0  0
  7 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 23  1  6  0  0  0
 16 19  1  1  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
 17 18  1  0  0  0  0
  2 20  1  1  0  0  0
 11 21  1  1  0  0  0
 23 22  2  0  0  0  0
M  END
> <LM_ID>
LMPR0104130005

> <COMMON_NAME>
ent-kaur-16-en-19-al

> <SYSTEMATIC_NAME>
ent-kaur-16-en-19-al

> <FORMULA>
C20H30O

> <MASS>
286.23

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Kaurane and phyllocladane diterpenoids [PR010413]

> <SYNONYMS>
ent-kaurenal

> <INCHI_KEY>
JCAVDWHQNFTFBW-LHYCJURKSA-N

> <INCHI>
InChI=1S/C20H30O/c1-14-11-20-10-7-16-18(2,13-21)8-4-9-19(16,3)17(20)6-5-15(14)12-20/h13,15-17H,1,4-12H2,2-3H3/t15?,16-,17+,18+,19-,20-/m1/s1

> <SMILES>
[C@@]123CC([C@@H](CC[C@@]1([H])[C@]1(C)CCC[C@@](C)(C=O)[C@@]1([H])CC2)C3)=C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
15418

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10062561

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$