LMPR0104400001
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.1079    6.2488    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1079    5.4163    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8289    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5499    5.4163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5499    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8289    6.6651    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2709    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9919    5.4163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9919    6.2488    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2709    6.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6558    7.4794    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8279    7.5664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4892    6.8059    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5263    7.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0170    8.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1846    8.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3869    5.8325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8326    8.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7129    6.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8396    6.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3869    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6749    6.6328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.8325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2395    8.2004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2452    7.3860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  1  1  0  0  0  0
  6  5  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 11  1  0  0  0  0
  1 17  1  6  0  0  0
 16 18  2  0  0  0  0
  9 19  1  6  0  0  0
  5 20  1  0  0  0  0
  2 21  1  6  0  0  0
 13 22  1  6  0  0  0
 17 23  1  0  0  0  0
 11 24  1  6  0  0  0
  6 25  1  6  0  0  0
M  END
> <LM_ID>
LMPR0104400001

> <COMMON_NAME>
1(15),8(19)-Trinervitadiene-3alpha,5alpha,18-triol

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H32O3

> <MASS>
320.24

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Trinervitane and kempane diterpenoids [PR010440]

> <SYNONYMS>


> <INCHI_KEY>
CQBMUHFERZKRSJ-JHBMXPPKSA-N

> <INCHI>
InChI=1S/C20H32O3/c1-12-5-4-6-13(2)16-10-18(23)20(11-21)17(22)9-15(8-7-12)14(3)19(16)20/h12,16-19,21-23H,2,4-11H2,1,3H3/t12-,16-,17-,18+,19+,20-/m0/s1

> <SMILES>
[C@]12(CO)[C@H](O)C[C@@]3([H])C(=C)CCC[C@H](C)CCC(=C(C)[C@@]13[H])C[C@@H]2O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
184991

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9883561

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
114645

> <CITATION>
-

$$$$