LMPR0106180022
  LIPID_MAPS_STRUCTURE_DATABASE

 39 43  0     0  0            999 V2000
   11.0169    8.5479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1577    9.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0169   10.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1577   10.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8762   10.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8762    9.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4394    9.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5802    8.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1577    7.0599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0169    7.5557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7352    8.5479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5943    9.0439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7352   11.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4535   10.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4536   11.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5802    7.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7211    7.0599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9433    6.0503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4393    7.0599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8977    6.0503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2986    8.5479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2988    9.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0169    9.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8762    8.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2986    7.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2986    6.5637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1577    8.0517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7352   10.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7352    9.5399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5944   10.0359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3126   10.0359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4535    9.5399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4535    8.5477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5944   12.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1575    6.0636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5944   13.0166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1463   12.3461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6890   11.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9493    5.9837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10  1  1  0     0  0
  1 23  1  1     0  0
  2  1  1  0     0  0
  2 21  1  0     0  0
  2 27  1  6     0  0
  4  2  1  0     0  0
  3  4  1  0     0  0
  3  5  2  0     0  0
 28  5  1  0     0  0
  5  6  1  0     0  0
  1  6  1  0     0  0
  6 11  1  0     0  0
  6 24  1  6     0  0
  7  8  1  0     0  0
  7 21  1  0     0  0
  8 16  1  0     0  0
 25  9  1  0     0  0
  9 10  1  0     0  0
 11 12  1  0     0  0
 12 30  1  0     0  0
 13 28  1  0     0  0
 34 13  1  0     0  0
 30 14  1  0     0  0
 14 15  1  0     0  0
 34 15  1  0     0  0
 16 19  1  0     0  0
 16 17  1  1     0  0
 19 18  1  6     0  0
 19 25  1  0     0  0
 19 20  1  1     0  0
 21 25  1  0     0  0
 21 22  1  1     0  0
 25 26  1  6     0  0
 28 30  1  0     0  0
 28 29  1  1     0  0
 30 32  1  1     0  0
 32 31  1  0     0  0
 32 33  2  0     0  0
  9 35  1  1     0  0
 34 36  1  6     0  0
 13 37  1  6     0  0
 13 38  1  1     0  0
 18 39  2  0     0  0
M  END
> <LM_ID>
LMPR0106180022

> <COMMON_NAME>
3beta,6beta,19alpha-trihydroxy-23-oxo-urs-12-en-28-oic acid

> <SYSTEMATIC_NAME>
3beta,6beta,19alpha-trihydroxy-23-oxo-urs-12-en-28-oic acid

> <FORMULA>
C30H46O6

> <MASS>
502.33

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Taraxastane, ursane and bauerane triterpenoids [PR010618]

> <SYNONYMS>


> <INCHI_KEY>
NBJMEEGTJUXGLI-UHVFENMYSA-N

> <INCHI>
InChI=1S/C30H46O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-20-25(2)11-10-21(33)26(3,16-31)23(25)19(32)15-28(20,27)5/h7,16-17,19-23,32-33,36H,8-15H2,1-6H3,(H,34,35)/t17-,19-,20-,21+,22-,23-,25-,26-,27-,28-,29-,30+/m1/s1

> <SMILES>
[C@@]12([C@]3(C)CC[C@]4(C(=O)O)[C@@]([H])([C@](C)(O)[C@H](C)CC4)C3=CC[C@]1([H])[C@]1(C)[C@]([H])([C@](C)(C=O)[C@@H](O)CC1)[C@H](O)C2)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21672641

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
714513

> <CITATION>
22222909

$$$$