LMPR0104150001
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0  0  0  0  0  0  0  0999 V2000
    5.0000    6.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7202    6.4404    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4404    6.8562    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4404    7.6878    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7202    8.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1606    6.4404    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8808    6.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8808    7.6878    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1606    8.1036    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6010    8.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6010    8.9352    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8808    9.3510    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1606    8.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3044    5.7202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1360    5.7202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3212    9.3510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4404    6.2322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7202    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4404    8.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1606    5.6088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4043    8.7200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8808    8.5194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5725    8.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0775    9.5663    0.0000 C   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  1  0  0  0  0
 10  4  1  0  0  0  0
  9 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 10  1  0  0  0  0
  2 15  1  1  0  0  0
  2 16  1  6  0  0  0
 12 17  1  1  0  0  0
  3 18  1  1  0  0  0
 16 19  1  0  0  0  0
  4 20  1  6  0  0  0
  7 21  1  1  0  0  0
 12 22  1  6  0  0  0
  9 23  1  1  0  0  0
 10 24  1  6  0  0  0
 13 25  1  6  0  0  0
 24 25  1  0  0  0  0
M  END
> <LM_ID>
LMPR0104150001

> <COMMON_NAME>
(+)-Villanovane-13alpha,19-diol

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H34O3

> <MASS>
322.25

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Villanovane, atisane, trachylobane and helvifulvane diterpenoids [PR010415]

> <SYNONYMS>


> <INCHI_KEY>
JQOYABPLXYOYKN-LPFFFRQSSA-N

> <INCHI>
InChI=1S/C20H34O3/c1-17(12-21)6-4-7-18(2)16(17)15(22)9-14-10-19(3,23)13-5-8-20(14,18)11-13/h13-16,21-23H,4-12H2,1-3H3/t13-,14-,15+,16+,17-,18+,19+,20-/m0/s1

> <SMILES>
C1CC[C@@]2(C)[C@@]34CC[C@@H](C3)[C@@](O)(C)C[C@]4([H])C[C@@H](O)[C@]2([H])[C@@]1(CO)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608221

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$