LMPR0106050011
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0     0  0            999 V2000
    6.9915    8.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1028    8.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1028    7.1675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7691    6.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6578    7.1675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8803    8.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7691    9.7332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6578   10.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5226    8.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1259    9.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7691    8.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6578    8.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5466    8.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5466    9.7332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3002   11.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4114   11.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0779   11.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5226   11.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1888   11.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5226   10.0503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1114   10.4134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9915    6.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8803    7.1675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8551    6.3678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3098    6.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4950    6.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8803    9.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5466    7.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6339   11.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5466   10.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9666   11.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0779   10.0503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2308    6.6641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9857    9.2714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6339   12.5897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7678   11.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1887   12.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 13 14  1  0  0  0  0
 14 20  1  0  0  0  0
 14  8  1  0  0  0  0
 13 12  1  0  0  0  0
 13  9  1  0  0  0  0
 11  7  1  0  0  0  0
 11  6  1  0  0  0  0
 12 11  2  0  0  0  0
 12  5  1  0  0  0  0
  6 23  1  0  0  0  0
  6  1  1  0  0  0  0
 10 20  1  0  0  0  0
  7  8  1  0  0  0  0
 10  9  1  0  0  0  0
  4  5  1  0  0  0  0
 23 22  1  0  0  0  0
 23  4  1  0  0  0  0
  2  1  1  0  0  0  0
  3 22  1  0  0  0  0
  3  2  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  6  0  0  0
 23 24  1  6  0  0  0
  6 27  1  1  0  0  0
 14 30  1  1  0  0  0
 18 29  1  0  0  0  0
 17 32  1  0  0  0  0
 31 17  1  0  0  0  0
 22 26  1  0  0  0  0
 22 25  1  0  0  0  0
 13 28  1  6  0  0  0
  3 33  1  1     0  0
 10 34  1  6     0  0
 18 16  1  6  0  0  0
 29 35  2  0     0  0
 29 36  1  0     0  0
 19 37  2  0     0  0
M  END
> <LM_ID>
LMPR0106050011

> <COMMON_NAME>
Tumulosic acid

> <SYSTEMATIC_NAME>
3beta,16alpha-dihydroxy-lanosta-8,24(28)-dien-21-oic acid

> <FORMULA>
C31H50O4

> <MASS>
486.37

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Lanostane triterpenoids [PR010605]

> <SYNONYMS>


> <INCHI_KEY>
XADJANKGURNTIA-YEXRKOARSA-N

> <INCHI>
InChI=1S/C31H50O4/c1-18(2)19(3)9-10-20(27(34)35)26-23(32)17-31(8)22-11-12-24-28(4,5)25(33)14-15-29(24,6)21(22)13-16-30(26,31)7/h18,20,23-26,32-33H,3,9-17H2,1-2,4-8H3,(H,34,35)/t20-,23-,24+,25+,26+,29-,30-,31+/m1/s1

> <SMILES>
C1C[C@H](O)C(C)(C)[C@]2([H])CCC3=C([C@]21C)CC[C@]1(C)[C@@]([H])([C@@H](CCC(=C)C(C)C)C(O)=O)[C@H](O)C[C@]13C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12314446

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2082149

> <CITATION>
-

$$$$