LMPR0104490001
  LIPID_MAPS_STRUCTURE_DATABASE

 28 30  0     0  0            999 V2000
    6.2796   12.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2796   11.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1457   11.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0118   11.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0118   12.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1457   13.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8777   11.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7438   11.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7438   12.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8777   13.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6097   11.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1457   14.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0118   10.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1457   10.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1457    9.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0118    8.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8777   10.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0118    7.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1457    7.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8777    7.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4386   13.7749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2796   10.5678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0118   13.5678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8777   12.0678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7438   10.5678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4758   11.5678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8777    6.0678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8777    9.0678    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
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
  6 12  1  1  0  0  0
  3 13  1  0  0  0  0
 13  7  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 13  1  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
  6 21  1  6  0  0  0
  3 22  1  6  0  0  0
  5 23  1  6  0  0  0
  4 24  1  6  0  0  0
  7 25  1  6  0  0  0
 11 26  1  0  0  0  0
 20 27  1  0  0  0  0
 17 28  1  0  0  0  0
M  END
> <LM_ID>
LMPR0104490001

> <COMMON_NAME>
(+-)-Trihydroxy-decipiadiene

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H32O3

> <MASS>
320.24

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Decipiane diterpenoids [PR010449]

> <SYNONYMS>


> <INCHI_KEY>
XWUIGIQNNFPWFK-WEHVBUNISA-N

> <INCHI>
InChI=1S/C20H32O3/c1-13(10-21)4-3-9-20(12-23)17-8-5-14(2)16-7-6-15(11-22)19(20)18(16)17/h4,6,14,16-19,21-23H,3,5,7-12H2,1-2H3/b13-4+/t14-,16-,17+,18-,19-,20?/m1/s1

> <SMILES>
C1[C@@]([H])(C)[C@@]2([H])CC=C(CO)[C@@]3([H])C(CO)(CC/C=C(/CO)\C)[C@]([H])([C@@]23[H])C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608265

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2652670

> <CITATION>
-

$$$$