LMPR0106150025
  LIPID_MAPS_STRUCTURE_DATABASE

 37 41  0  0  0  0  0  0  0  0999 V2000
    6.9907    7.3765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7088    6.9619    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7088    6.1327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4268    5.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1450    6.1327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1450    6.9619    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4268    7.3765    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4268    8.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1450    8.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8631    8.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8631    7.3765    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8631    6.5473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5812    6.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2993    7.3765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2993    8.2057    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.5812    8.6203    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5812    9.4495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2993    9.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0174    9.4495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0174    8.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8847   10.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7139   10.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0174    7.7911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7356    8.2057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0174    6.9619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1450    7.7911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9907    5.7181    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4053    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2345    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2725    6.1327    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2725    6.9619    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5544    7.3765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.7181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5761    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7088    7.7911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9742    9.0246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4194    6.6199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  6  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 10 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
 15 23  1  1  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
  6 26  1  1  0  0  0
  3 27  1  0  0  0  0
 27 28  1  6  0  0  0
 28 29  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
  1 31  1  0  0  0  0
 31 32  1  1  0  0  0
 30 33  1  1  0  0  0
 27 34  1  1  0  0  0
  2 35  1  6  0  0  0
 16 36  1  1  0  0  0
  7 37  1  1  0  0  0
M  END
> <LM_ID>
LMPR0106150025

> <COMMON_NAME>
Bassic acid

> <SYSTEMATIC_NAME>
(4R)-2beta,3beta,23-trihydroxy-oleana-5,12-dien-28-oic acid

> <FORMULA>
C30H46O5

> <MASS>
486.33

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Oleanane triterpenoids [PR010615]

> <SYNONYMS>


> <INCHI_KEY>
FJGGNIPUSLFYJJ-NIOQJKBVSA-N

> <INCHI>
InChI=1S/C30H46O5/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/h7,9,19-20,22-23,31-33H,8,10-17H2,1-6H3,(H,34,35)/t19-,20-,22-,23-,26+,27-,28+,29+,30-/m0/s1

> <SMILES>
C1[C@H](O)[C@H](O)[C@@](C)(CO)C2=CC[C@@]3(C)[C@@]4(CC[C@@]5(C(=O)O)CCC(C)(C)C[C@@]5([H])C4=CC[C@@]3([H])[C@]12C)C

> <KEGG_ID>
-

> <HMDB_ID>
HMDB34526

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
73242191

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$