LMPR0106140004
  LIPID_MAPS_STRUCTURE_DATABASE

 37 41  0  0  0  0  0  0  0  0999 V2000
    6.9745    7.4402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2645    7.0302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3946    5.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1047    6.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1047    8.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3946    8.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6846    7.0302    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1047    7.0302    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6846    6.2104    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6846    5.3905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3946    7.4402    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3946    6.6203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8147    9.0799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5247    7.8501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6846    7.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1047    7.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8147    6.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5247    7.0302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2348    7.4402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5106    9.5577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8147    7.4402    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.5247    8.6700    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8147    8.2601    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.8441    8.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6952    9.4720    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1467   10.0813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4000   10.8610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3447    9.9108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2348    8.2601    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3907    5.0795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9745    5.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5124    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2645    6.2104    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5544    5.8004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0733    7.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7833    8.3098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2855    7.1079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  2 33  1  0  0  0  0
 33 31  1  0  0  0  0
 31  9  1  0  0  0  0
 11  7  1  0  0  0  0
  7  9  1  0  0  0  0
  9  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  8  1  0  0  0  0
  8 21  1  0  0  0  0
 11  8  1  0  0  0  0
  6 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  9 10  1  6  0  0  0
 11 12  1  6  0  0  0
 23 13  1  1  0  0  0
 22 14  1  6  0  0  0
  7 15  1  1  0  0  0
 21 17  1  6  0  0  0
  8 16  1  1  0  0  0
 24 20  1  0  0  0  0
 25 20  1  0  0  0  0
 22 25  1  0  0  0  0
 29 24  1  0  0  0  0
 25 26  1  6  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 29 35  1  1  0  0  0
 23 21  1  0  0  0  0
 21 18  1  0  0  0  0
 18 19  1  0  0  0  0
 22 23  1  0  0  0  0
 22 29  1  0  0  0  0
 29 19  1  0  0  0  0
 31 30  1  0  0  0  0
 31 32  1  0  0  0  0
 33 34  1  1  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
M  END
> <LM_ID>
LMPR0106140004

> <COMMON_NAME>
Betulinic acid

> <SYSTEMATIC_NAME>
3beta-Hydroxy-lup-20(29)-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>
Lupane triterpenoids [PR010614]

> <SYNONYMS>


> <INCHI_KEY>
QGJZLNKBHJESQX-FZFNOLFKSA-N

> <INCHI>
InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1

> <SMILES>
C1[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])CC[C@@]2([C@@]4([C@](CC[C@@]32C)(C(O)=O)CC[C@H]4C(C)=C)[H])[H])C(C)(C)[C@@H](O)C1

> <KEGG_ID>
C08619

> <HMDB_ID>
HMDB0030094

> <CHEBI_ID>
3087

> <ABBREVIATION>
-

> <CAYMAN_ID>
11686

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
64971

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$