LMPR0106150007
  LIPID_MAPS_STRUCTURE_DATABASE

 38 42  0  0  0  0  0  0  0  0999 V2000
    9.1055    7.2768    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3952    7.6869    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.1055    8.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3952    8.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8158    8.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8158    7.6869    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9749    7.6869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3952    6.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1055    6.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5259    7.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2361    7.6868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5259    9.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9463    8.9169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9464    9.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2647    6.4568    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5545    6.0467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9748    6.0467    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6851    7.2768    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6852    8.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1055    8.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8158    6.8668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6851    6.4568    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6851    5.6367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3952    6.8668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5259    8.9169    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5259    8.0968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2362    8.5069    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6565    8.5069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9463    8.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9463    7.2767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6462   10.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2362   10.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8261   10.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2647    7.2769    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5544    7.6870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5648    5.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3538    5.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1459    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  1  0  0  0  0
  1 20  1  1  0  0  0
  2  1  1  0  0  0  0
  2 18  1  0  0  0  0
  2 24  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
 25  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6 21  1  6  0  0  0
  7 34  1  0  0  0  0
  7 18  1  0  0  0  0
 34 15  1  0  0  0  0
 22  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 27  1  0  0  0  0
 12 25  1  0  0  0  0
 32 12  1  0  0  0  0
 27 13  1  0  0  0  0
 13 14  1  0  0  0  0
 32 14  1  0  0  0  0
 15 17  1  0  0  0  0
 15 16  1  1  0  0  0
 17 36  1  1  0  0  0
 17 22  1  0  0  0  0
 17 37  1  6  0  0  0
 18 22  1  0  0  0  0
 18 19  1  1  0  0  0
 22 23  1  6  0  0  0
 25 27  1  0  0  0  0
 25 26  1  1  0  0  0
 27 29  1  1  0  0  0
 29 28  1  0  0  0  0
 29 30  2  0  0  0  0
 32 31  1  0  0  0  0
 32 33  1  0  0  0  0
 34 35  1  1  0  0  0
 37 38  1  0  0  0  0
M  END
> <LM_ID>
LMPR0106150007

> <COMMON_NAME>
bayogenin

> <SYSTEMATIC_NAME>
2beta,3beta,23-trihydroxyolean-12-en-28-oic acid

> <FORMULA>
C30H48O5

> <MASS>
488.35

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Oleanane triterpenoids [PR010615]

> <SYNONYMS>
(2beta,3beta,4alpha)-2,3,23-trihydroxyolean-12-en-28-oic acid; 2beta,23-dihydroxyoleanolic acid

> <INCHI_KEY>
RWNHLTKFBKYDOJ-JEERONPWSA-N

> <INCHI>
InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20-,21+,22+,23-,26-,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@@](CO)(C)[C@@H](O)[C@@H](O)C1)CC2)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
50481

> <ABBREVIATION>
-

> <CAYMAN_ID>
35822

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12305221

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$