LMPR0104010002
  LIPID_MAPS_STRUCTURE_DATABASE

 21 20  0  0  0  0  0  0  0  0999 V2000
   11.4088    5.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7004    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1238    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4088    6.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9887    5.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8390    5.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2701    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5473    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5619    5.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2624    5.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8468    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5619    6.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9707    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2624    6.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1385    5.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6858    5.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4234    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3975    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7117    5.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7117    6.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  1  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
> <LM_ID>
LMPR0104010002

> <COMMON_NAME>
Phytol

> <SYSTEMATIC_NAME>
3R,7R,11R,15-tetramethyl-2E-hexadecen-1-ol

> <FORMULA>
C20H40O

> <MASS>
296.31

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Acyclic diterpenoids [PR010401]

> <SYNONYMS>


> <INCHI_KEY>
BOTWFXYSPFMFNR-PYDDKJGSSA-N

> <INCHI>
InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1

> <SMILES>
[C@H](C)(CCC/C(/C)=C/CO)CCC[C@H](C)CCCC(C)C

> <KEGG_ID>
C01389

> <HMDB_ID>
HMDB0002019

> <CHEBI_ID>
17327

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
SLM:000389241

> <PUBCHEM_COMPOUND_ID>
5280435

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$