LMPR0106150004
  LIPID_MAPS_STRUCTURE_DATABASE

 36 40  0     0  0            999 V2000
   11.0356    8.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1749    9.0593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0356   10.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1749   10.0531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8963   10.0531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8963    9.0593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4538    9.0593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5931    8.5626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1749    7.0719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0356    7.5686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7568    8.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6174    9.0592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7568   11.5437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4780   10.5499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4781   11.5437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5931    7.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.0719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9569    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4537    7.0719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9129    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3143    8.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3145    9.5562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0356    9.5562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8963    8.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3143    7.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3143    6.5749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1749    8.0655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7568   10.5499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7568    9.5560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6175   10.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3386   10.0530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4780    9.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4780    8.5623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1144   12.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6175   12.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1207   12.9013    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  2  0  0  0  0
 28  5  1  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 30  1  0  0  0  0
 13 28  1  0  0  0  0
 35 13  1  0  0  0  0
 30 14  1  0  0  0  0
 14 15  1  0  0  0  0
 35 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 30  1  0  0  0  0
 28 29  1  1  0  0  0
 30 32  1  1  0  0  0
 32 31  1  0  0  0  0
 32 33  2  0  0  0  0
 35 34  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
> <LM_ID>
LMPR0106150004

> <COMMON_NAME>
oleanolic acid

> <SYSTEMATIC_NAME>
3beta-hydroxyolean-12-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>
Astrantiagenin C; Caryophyllin; Giganteumgenin C; Oleanic acid; Virgaureagenin B

> <INCHI_KEY>
MIJYXULNPSFWEK-GTOFXWBISA-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/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1

> <SMILES>
[C@@]12([C@]3(C)CC[C@]4(C(=O)O)[C@@]([H])(CC(C)(C)CC4)C3=CC[C@]1([H])[C@]1(C)[C@]([H])(C(C)(C)[C@@H](O)CC1)CC2)C

> <KEGG_ID>
C17148

> <HMDB_ID>
HMDB0002364

> <CHEBI_ID>
37659

> <ABBREVIATION>
-

> <CAYMAN_ID>
11726

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10494

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
4146

> <CITATION>
-

$$$$