LMPR0104070001
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0     0  0            999 V2000
    6.0606    7.7266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9265    7.2266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    7.7266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    8.7266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9265    9.2266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.7266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6586    7.2266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5247    7.7266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5247    8.7266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6586    9.2266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3906    9.2266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3906   10.2266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5247   10.7266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6586   10.2266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2567    8.7266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2567    7.7266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    9.7266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4265    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4265    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1228    9.2266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    6.7266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2567   10.7266    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  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
  4 17  1  1  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
 15 20  1  0  0  0  0
  3 21  1  6  0  0  0
 12 22  1  0  0  0  0
M  END
> <LM_ID>
LMPR0104070001

> <COMMON_NAME>
(+)-Totarol

> <SYSTEMATIC_NAME>
(+)-8,11,13-totara-trien-13-ol

> <FORMULA>
C20H30O

> <MASS>
286.23

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Totarane and nagilactone diterpenoids [PR010407]

> <SYNONYMS>


> <INCHI_KEY>
ZRVDANDJSTYELM-FXAWDEMLSA-N

> <INCHI>
InChI=1S/C20H30O/c1-13(2)18-14-7-10-17-19(3,4)11-6-12-20(17,5)15(14)8-9-16(18)21/h8-9,13,17,21H,6-7,10-12H2,1-5H3/t17-,20+/m0/s1

> <SMILES>
C1CC[C@]2(C)C3C=CC(O)=C(C(C)C)C=3CC[C@@]2([H])C1(C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
69241

> <ABBREVIATION>
-

> <CAYMAN_ID>
26412

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
92783

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
56901

> <CITATION>
-

$$$$