LMPR0106180016
  LIPID_MAPS_STRUCTURE_DATABASE

 37 41  0  0  0  0  0  0  0  0999 V2000
    7.7012    6.0459    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4177    5.6325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1342    6.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1342    6.8726    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2833   10.1299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5658    9.3528    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7515    9.2095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7012    6.8726    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4177    7.2860    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4177    8.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1342    8.5261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8493    8.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5658    8.5261    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2823    8.1126    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.9975    8.5261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9975    9.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2823    9.7662    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2823   10.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2823    7.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5658    6.8726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8493    7.2860    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8493    6.4591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9861    7.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2696    6.8726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2696    6.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.6325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4542    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9861    5.6325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5179    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9975    6.8726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9975    7.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7140    8.1126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1213    7.6286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7012    5.2192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7012    7.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4177    6.4592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5658    7.6993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4 21  1  0  0  0  0
  4 33  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6 13  1  0  0  0  0
  6 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 14 31  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
 20 21  1  0  0  0  0
 21 22  1  6  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
  1 34  1  6  0  0  0
  8 35  1  1  0  0  0
  9 36  1  6  0  0  0
 13 37  1  1  0  0  0
M  END
> <LM_ID>
LMPR0106180016

> <COMMON_NAME>
Pomolic acid

> <SYSTEMATIC_NAME>
3beta,19-Dihydroxy-5alpha-urs-12-en-28-oic acid

> <FORMULA>
C30H48O4

> <MASS>
472.36

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Taraxastane, ursane and bauerane triterpenoids [PR010618]

> <SYNONYMS>


> <INCHI_KEY>
ZZTYPLSBNNGEIS-RKUPTNFASA-N

> <INCHI>
InChI=1S/C30H48O4/c1-18-10-15-30(24(32)33)17-16-27(5)19(23(30)29(18,7)34)8-9-21-26(4)13-12-22(31)25(2,3)20(26)11-14-28(21,27)6/h8,18,20-23,31,34H,9-17H2,1-7H3,(H,32,33)/t18-,20+,21-,22?,23-,26+,27-,28-,29-,30+/m1/s1

> <SMILES>
[C@]12([H])C(C)(C)C(O)CC[C@]1(C)[C@@]1([H])CC=C3[C@@](C)(CC[C@@]4(C(O)=O)CC[C@@H](C)[C@]([C@@]34[H])(O)C)[C@]1(C)CC2

> <KEGG_ID>
-

> <HMDB_ID>
HMDB35106

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
70065064

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$