LMPR0104050009
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.6220    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9075    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9075    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0509    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7654    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7654    8.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0509    8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4799    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4799    8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9088    8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1943    8.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1943    9.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3365    6.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3365    7.0625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3365    7.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3365    5.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7654    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0509    7.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0509    6.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6220    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6220    5.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9075    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
 14  1  1  0  0  0  0
  2  3  1  0  0  0  0
  3 21  1  0  0  0  0
 13 21  1  0  0  0  0
 18 14  1  0  0  0  0
 14 13  1  0  0  0  0
 13  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 17  1  0  0  0  0
 17  8  2  0  0  0  0
 17 18  1  0  0  0  0
 18  7  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 16  1  6  0  0  0
 14 15  1  1  0  0  0
 18 19  1  6  0  0  0
 21 20  1  0  0  0  0
 21 22  1  6  0  0  0
 22 23  2  0  0  0  0
M  END
> <LM_ID>
LMPR0104050009

> <COMMON_NAME>
levopimaradienal

> <SYSTEMATIC_NAME>
abieta-8(14),12-dien-18-al

> <FORMULA>
C20H30O

> <MASS>
286.23

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Abietane diterpenoids [PR010405]

> <SYNONYMS>
(1R,4aR,4bS,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,9,10,10a-decahydrophenanthrene-1-carbaldehyde; levopimaradien-18-al; levopimaral

> <INCHI_KEY>
QAOPEXQKBQUUSQ-LWYYNNOASA-N

> <INCHI>
InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,12-14,17-18H,5,7-11H2,1-4H3/t17-,18-,19-,20+/m0/s1

> <SMILES>
C1[C@@]2(C)[C@@]([H])(CCC3[C@]2([H])CC=C(C(C)C)C=3)[C@@](C=O)(C)CC1

> <KEGG_ID>
C11886

> <HMDB_ID>
-

> <CHEBI_ID>
52483

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
443478

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$