LMPR0104400002
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0  0  0  0  0  0  0  0999 V2000
    5.7215    7.0828    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7215    6.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4430    5.8331    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1646    6.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1646    7.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4430    7.4994    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8861    5.8331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6076    6.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6076    7.0828    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8861    7.4994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2698    8.3143    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4412    8.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1024    7.6403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1417    8.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6320    8.9454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7990    8.9454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.6663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4467    9.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3291    7.4994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4545    7.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8533    9.0358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8596    8.2209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4430    5.0000    0.0000 O   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  2  0  0  0  0
 16 11  1  0  0  0  0
  1 17  1  6  0  0  0
 16 18  1  0  0  0  0
  9 19  1  6  0  0  0
  5 20  1  0  0  0  0
 11 21  1  6  0  0  0
  6 22  1  6  0  0  0
  3 23  1  1  0  0  0
M  END
> <LM_ID>
LMPR0104400002

> <COMMON_NAME>
Isotrinerviol

> <SYSTEMATIC_NAME>
1(15),8(19)-Trinervitadiene-14beta-ol

> <FORMULA>
C20H32O

> <MASS>
288.25

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Trinervitane and kempane diterpenoids [PR010440]

> <SYNONYMS>


> <INCHI_KEY>
PJNOSQMCFHDMLC-MOEFAXRESA-N

> <INCHI>
InChI=1S/C20H32O/c1-13-6-5-7-14(2)16-10-11-20(4)12-18(21)17(9-8-13)15(3)19(16)20/h7,13,16,18-19,21H,5-6,8-12H2,1-4H3/b14-7-/t13-,16-,18-,19+,20+/m0/s1

> <SMILES>
[C@]12(C)CC[C@@]3([H])C(C)=CCC[C@H](C)CCC(=C(C)[C@@]13[H])[C@@H](O)C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
193437

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608254

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$