LMPR01060035
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0     0  0            999 V2000
    7.6167    8.7761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6167    7.7551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5008    7.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3849    7.7551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3849    8.7761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5008    9.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2690    7.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1533    7.7551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1533    8.7761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2690    9.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0374    9.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0374   10.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1533   10.8179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2690   10.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0084    8.9710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6085    9.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0084   10.6228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0084   11.6438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8925   12.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7766   11.6438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6607   12.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5448   11.6438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4291   12.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5448   10.6228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242   12.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9904    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0112    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3849    9.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0374    8.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0374   11.1794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1533    9.5472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8378   10.8451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.2447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3849    6.7343    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2690    8.2655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0084   12.6648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1533   11.8179    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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  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
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 17 18  1  1  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 18 25  1  1  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  5 28  1  1  0  0  0
 11 29  1  6  0  0  0
 12 30  1  1  0  0  0
  9 31  1  1  0  0  0
 17 32  1  6  0  0  0
  2 33  2  0  0  0  0
  4 34  1  6  0  0  0
 10 35  1  6  0  0  0
 18 36  1  6  0  0  0
 13 37  1  1     0  0
M  END
> <LM_ID>
LMPR01060035

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
12beta,20S,-trihydroxydammar-3,25-dione

> <FORMULA>
C29H48O4

> <MASS>
460.36

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C30 isoprenoids (triterpenes) [PR0106]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZLCNNRLOGZWAND-SSSMDOENSA-N

> <INCHI>
InChI=1S/C29H48O4/c1-18(30)9-8-13-29(7,33)19-10-15-28(6)24(19)20(31)17-22-26(4)14-12-23(32)25(2,3)21(26)11-16-27(22,28)5/h19-22,24,31,33H,8-17H2,1-7H3/t19-,20+,21-,22+,24-,26-,27+,28+,29-/m0/s1

> <SMILES>
C1C[C@]2(C)[C@@]3([H])C[C@@H](O)[C@]4([H])[C@@]([H])([C@@](C)(O)CCCC(C)=O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)C1=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171118660

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2625570

> <CITATION>
33481181

$$$$