LMPR0104180004
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0  0  0  0  0  0  0  0999 V2000
   10.4861    6.3888    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.4861    7.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7816    7.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0771    7.2023    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0771    6.3888    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7816    5.9820    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2126    5.5752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3336    5.5752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0771    8.0158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9089    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3726    7.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6680    7.2023    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6680    6.3888    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3726    5.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9635    7.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2590    7.2023    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2590    6.3888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9635    5.9820    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4732    6.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.6090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9635    5.1685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6680    5.5752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6680    8.0158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3726    8.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7816    5.1685    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  6  0  0  0
  1  6  1  6  0  0  0
  5  7  1  0  0  0  0
  1  8  1  0  0  0  0
  7  8  2  0  0  0  0
  4  9  1  1  0  0  0
  8 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  5  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 16 21  1  1  0  0  0
 18 22  1  1  0  0  0
 13 23  1  6  0  0  0
 12 24  1  1  0  0  0
 11 25  2  0  0  0  0
  6 26  1  1  0  0  0
M  END
> <LM_ID>
LMPR0104180004

> <COMMON_NAME>
(-)-Leucothol C

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H30O4

> <MASS>
334.21

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Leucothol and grayanotoxane diterpenoids [PR010418]

> <SYNONYMS>


> <INCHI_KEY>
RPVINCFOPQZXJM-UIVPEWPISA-N

> <INCHI>
InChI=1S/C20H30O4/c1-10-8-19-9-20(24)14(7-15(21)18(3,4)17(20)23)11(2)13(19)6-5-12(10)16(19)22/h8,12-17,21-24H,2,5-7,9H2,1,3-4H3/t12-,13-,14+,15-,16+,17-,19+,20-/m0/s1

> <SMILES>
[C@@H]12C(C)=C[C@]3(C[C@@]4(O)[C@@H](O)C(C)(C)[C@@H](O)C[C@]4([H])C(=C)[C@]3([H])CC1)[C@@H]2O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608227

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$