LMPR0104080009
  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  1  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
    9.6934    9.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2768    8.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5184    9.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
 11  1  1  0  0  0  0
  2  3  1  0  0  0  0
  3 18  1  0  0  0  0
 10 18  1  0  0  0  0
 15 11  1  0  0  0  0
 11 10  1  0  0  0  0
 10  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 14  2  0  0  0  0
 14  8  1  0  0  0  0
 14 15  1  0  0  0  0
 15  7  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  8  9  1  0  0  0  0
 10 13  1  6  0  0  0
 11 12  1  1  0  0  0
 15 16  1  6  0  0  0
 18 17  1  1  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  1  0  0  0
 21 23  2  0  0  0  0
M  END
> <LM_ID>
LMPR0104080009

> <COMMON_NAME>
isopimara-7,15-dienal

> <SYSTEMATIC_NAME>
(13S)-pimara-7,15-dien-18-al

> <FORMULA>
C20H30O

> <MASS>
286.23

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Pimarane diterpenoids [PR010408]

> <SYNONYMS>
(1R,4aR,4bS,7S)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carbaldehyde; isopimaral; isopimarinal

> <INCHI_KEY>
NLLZQKHFTCHPED-VYJAJWGXSA-N

> <INCHI>
InChI=1S/C20H30O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,7,14,16-17H,1,6,8-13H2,2-4H3/t16-,17-,18-,19-,20+/m0/s1

> <SMILES>
C1[C@@]2(C)[C@@]([H])(CC=C3[C@]2([H])CC[C@](C)(C=C)C3)[C@@](C=O)(C)CC1

> <KEGG_ID>
C18222

> <HMDB_ID>
-

> <CHEBI_ID>
52485

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12311183

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$