LMPR0106050013
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0     0  0            999 V2000
    7.5322   -6.1362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6281   -6.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6281   -7.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5322   -8.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4364   -7.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3408   -8.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2452   -7.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2452   -6.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3408   -6.1362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4364   -6.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3408   -5.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2452   -4.5699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1492   -5.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1492   -6.1362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9579   -6.1362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9579   -5.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0536   -4.5699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1492   -4.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4364   -5.9273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6394   -4.2320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7207   -8.2496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1492   -6.9465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1026   -8.1975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6748   -8.7197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2323   -8.9248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0536   -3.7347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2034   -3.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8391   -3.1319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7539   -3.5108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5393   -2.9080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4541   -3.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2395   -2.6841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5833   -4.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1543   -3.0630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1103   -1.7025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4833   -4.5971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4117   -8.3708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2848   -4.0544    0.0000 C   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  1  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
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 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
 16 17  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
  9 10  1  0  0  0  0
  8 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  1  0  0  0
 10 19  1  1  0  0  0
 17 20  1  6  0  0  0
  3 21  2  0  0  0  0
 14 22  1  6  0  0  0
  7 23  2  0     0  0
  4 24  1  0     0  0
  4 25  1  0     0  0
 17 26  1  0  0  0  0
 26 27  1  6  0  0  0
 26 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  2  0     0  0
 31 32  1  0     0  0
 31 33  1  0     0  0
 32 34  1  0     0  0
 32 35  2  0     0  0
 11 36  1  6     0  0
  5 37  1  6     0  0
 34 38  1  0     0  0
M  END
> <LM_ID>
LMPR0106050013

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
11alpha-Hydroxy-3,7-dioxo-5alpha-lanosta-8,24-diene-26-oic acid methyl ester

> <FORMULA>
C31H46O5

> <MASS>
498.33

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Lanostane triterpenoids [PR010605]

> <SYNONYMS>


> <INCHI_KEY>
NRRQLFDHIRXZJO-HSMSPVAISA-N

> <INCHI>
InChI=1S/C31H46O5/c1-18(10-9-11-19(2)27(35)36-8)20-12-15-30(6)26-21(32)16-23-28(3,4)24(34)13-14-29(23,5)25(26)22(33)17-31(20,30)7/h11,18,20,22-23,33H,9-10,12-17H2,1-8H3/b19-11+/t18-,20-,22-,23+,29+,30+,31-/m1/s1

> <SMILES>
C1[C@]2(C)C3[C@H](O)C[C@]4(C)[C@]([C@@H](CC/C=C(\C)/C(=O)OC)C)([H])CC[C@@]4(C)C=3C(=O)C[C@@]2([H])C(C)(C)C(=O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
71530781

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2696576

> <CITATION>
22999074

$$$$