LMPR0104150007
  LIPID_MAPS_STRUCTURE_DATABASE

 29 32  0     0  0            999 V2000
    6.0606    8.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9336    7.8066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8066    8.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8066    9.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9336    9.8226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6795    7.8066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5525    8.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5525    9.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6795    9.8226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4255    9.8226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4255   10.8306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5525   11.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6795   10.8306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4296    6.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4376    6.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1734   10.6596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8066    7.5542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8066   10.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5242   11.7197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4296    6.9336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6795    8.8226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2937   10.0845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8025   10.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9645   11.0846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1946    7.8106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3286    8.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625    7.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3286    9.3105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  1  1  0     0  0
  3  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  4  1  0     0  0
  9 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 10  1  0     0  0
  2 15  1  1     0  0
  2 16  1  6     0  0
 12 17  1  1     0  0
  3 18  1  1     0  0
  4 19  1  6     0  0
 12 20  1  6     0  0
 15 21  1  0     0  0
 10 22  1  1     0  0
  9 23  1  6     0  0
 13 24  1  6     0  0
 23 24  1  0     0  0
 17 25  1  0     0  0
  1 26  1  1     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 27 29  2  0     0  0
M  END
> <LM_ID>
LMPR0104150007

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
ent-3alpha-acetoxy-16beta,17,18-trihydroxyatisane

> <FORMULA>
C22H36O5

> <MASS>
380.26

> <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>
OUSPOFFCBMUVKE-CGGIHEHQSA-N

> <INCHI>
InChI=1S/C22H36O5/c1-14(25)27-18-6-7-19(2)16(20(18,3)12-23)5-9-21-8-4-15(10-17(19)21)22(26,11-21)13-24/h15-18,23-24,26H,4-13H2,1-3H3/t15-,16-,17-,18-,19+,20+,21+,22-/m0/s1

> <SMILES>
[C@H]1(OC(=O)C)CC[C@@]2(C)[C@]3([H])C[C@@H]4CC[C@]3(C[C@]4(O)CO)CC[C@]2([H])[C@@]1(C)CO

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171120138

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
334664

> <CITATION>
32643405

$$$$