LMPR0104120001
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0  0  0  0  0  0  0  0999 V2000
    5.7144    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    6.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4289    7.0625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8578    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    7.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8578    7.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7144    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5723    7.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5723    8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8578    8.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2868    8.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0013    8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2868    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    7.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    5.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    6.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8578    7.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3 19  1  1  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  4 18  1  6  0  0  0
  6  5  1  0  0  0  0
  3  6  1  0  0  0  0
  7  2  1  0  0  0  0
  4  8  1  0  0  0  0
  8 14  1  0  0  0  0
  8 20  1  1  0  0  0
  8  9  1  0  0  0  0
  5  9  1  0  0  0  0
  9 11  1  0  0  0  0
  9 21  1  6  0  0  0
  3 10  1  0  0  0  0
 10  7  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  1  0  0  0
 13 12  2  0  0  0  0
 12 15  1  0  0  0  0
 14 13  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
> <LM_ID>
LMPR0104120001

> <COMMON_NAME>
ent-cassa-12,15-diene

> <SYSTEMATIC_NAME>
5beta,8alpha,9beta,10alpha,14beta-13-ethenyl-14-methylpodocarp-12-ene

> <FORMULA>
C20H32

> <MASS>
272.25

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Podocarpane diterpenoids [PR010412]

> <SYNONYMS>
5beta,8alpha,9beta,10alpha,14beta-14-methyl-13-vinylpodocarp-12-ene

> <INCHI_KEY>
JQPDOKGAOXSRJD-SVEODPQUSA-N

> <INCHI>
InChI=1S/C20H32/c1-6-15-8-10-17-16(14(15)2)9-11-18-19(3,4)12-7-13-20(17,18)5/h6,8,14,16-18H,1,7,9-13H2,2-5H3/t14-,16-,17-,18-,20+/m1/s1

> <SMILES>
C1[C@]2([C@]3([C@@]([H])([C@H](C)C(C=C)=CC3)CC[C@@]2(C(C)(C)CC1)[H])[H])C

> <KEGG_ID>
C18226

> <HMDB_ID>
-

> <CHEBI_ID>
50060

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11471283

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$