LMPR0106150059
  LIPID_MAPS_STRUCTURE_DATABASE

 35 39  0     0  0            999 V2000
   11.0345    8.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1739    9.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0345   10.5489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1739   10.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8951   10.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8951    9.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4529    9.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5923    8.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1739    7.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0345    7.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7555    8.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6160    9.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7555   11.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4765   10.5488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4766   11.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5923    7.5680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7319    7.0712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9561    6.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4528    7.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9120    6.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3134    8.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3136    9.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0345    9.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8951    8.0647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3134    7.5680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3134    6.5742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1739    8.0647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7555   10.5488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6161   10.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3370   10.0520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4765    9.5550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4765    8.5614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1130   12.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6161   12.0394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1194   12.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 10  1  1  0  0  0  0
  1 23  1  1  0  0  0
  2  1  1  0  0  0  0
  2 21  1  0  0  0  0
  2 27  1  6  0  0  0
  4  2  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
 28  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6 24  1  6  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  8 16  1  0  0  0  0
 25  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 29  1  0  0  0  0
 13 28  1  0  0  0  0
 34 13  1  0  0  0  0
 29 14  1  0  0  0  0
 14 15  1  0  0  0  0
 34 15  1  0  0  0  0
 16 19  1  0  0  0  0
 16 17  1  1  0  0  0
 19 18  1  0  0  0  0
 19 25  1  0  0  0  0
 19 20  1  0  0  0  0
 21 25  1  0  0  0  0
 21 22  1  1  0  0  0
 25 26  1  6  0  0  0
 28 29  1  0  0  0  0
 29 31  1  1  0  0  0
 31 30  1  0  0  0  0
 31 32  2  0  0  0  0
 34 33  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
> <LM_ID>
LMPR0106150059

> <COMMON_NAME>
delta-Oleanolic acid

> <SYSTEMATIC_NAME>
Olean-13(18)-en-28-oic acid

> <FORMULA>
C30H48O3

> <MASS>
456.36

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Oleanane triterpenoids [PR010615]

> <SYNONYMS>


> <INCHI_KEY>
URJXGGPELKALMS-HLYSYWIOSA-N

> <INCHI>
InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h21-23,31H,8-18H2,1-7H3,(H,32,33)/t21-,22+,23-,27-,28+,29+,30-/m0/s1

> <SMILES>
[C@@]12([C@]3(C)CC[C@]4(C(=O)O)C(CC(C)(C)CC4)=C3CC[C@]1([H])[C@]1(C)[C@]([H])(C(C)(C)[C@@H](O)CC1)CC2)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101768915

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
4146

> <CITATION>
-

$$$$