LMPR0106150020
  LIPID_MAPS_STRUCTURE_DATABASE

 36 40  0  0  0  0  0  0  0  0999 V2000
    7.6826    6.1051    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4189    5.6956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1565    6.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1565    6.9229    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.1565    7.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4189    7.3324    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4189    8.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1565    8.5595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8102    8.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5466    8.5595    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.5466    9.3788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0207    9.3788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0207    8.5595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2843    8.1500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.2843    7.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5466    6.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8102    7.3324    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8102    6.5133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2912    6.1051    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2912    6.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9463    7.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6826    6.9229    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6826    7.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9463    5.6956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6757    8.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0207    7.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0207    6.9229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8748   10.5244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2843    9.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6926   10.5244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8169    8.9807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4189    6.4899    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.6968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6826    5.2625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2973    5.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4008    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  4 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 26  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 19 20  1  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 10 31  1  1  0  0  0
  6 32  1  6  0  0  0
 19 33  1  6  0  0  0
  1 34  1  6  0  0  0
 24 35  1  0  0  0  0
 24 36  1  0  0  0  0
M  END
> <LM_ID>
LMPR0106150020

> <COMMON_NAME>
3-Epioleanolic acid

> <SYSTEMATIC_NAME>
(20R)-3alpha-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>


> <INCHI_KEY>
MIJYXULNPSFWEK-KDQGZELNSA-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([H])C(C)(C)[C@H](O)CC[C@]1(C)[C@@]1([H])CC=C3[C@@](C)(CC[C@@]4(C(=O)O)CCC(C)(C)C[C@@]34[H])[C@]1(C)CC2

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0036962

> <CHEBI_ID>
68103

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11869658

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$