LMPR0106050005
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0     0  0            999 V2000
    8.4459    8.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5666    7.7443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5666    6.7290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2045    6.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0836    6.7290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3251    7.7443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2045    9.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0836    9.7749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2045    8.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0836    7.7443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4459    6.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3251    6.7290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3002    6.0375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8105    5.3270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9545    5.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3251    8.7598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7038    6.2310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2762   12.1052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4091   11.6046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5420   11.1041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4091   12.6059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5420   12.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6749   12.6059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8077   12.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9630   10.2827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0494   11.1041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9630    7.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8077   10.0886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9286    9.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9286   10.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8077   11.1041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9630    9.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9630    8.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5254    8.7598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9286    7.9383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6370   13.5990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9  7  2  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 10  5  2  0  0  0  0
  6 12  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  4  5  1  0  0  0  0
 12 11  1  0  0  0  0
 12  4  1  0  0  0  0
  2  1  1  0  0  0  0
  3 11  1  0  0  0  0
  3  2  1  0  0  0  0
 12 13  1  6  0  0  0
  6 16  1  1  0  0  0
 11 15  1  0  0  0  0
 11 14  1  0  0  0  0
  3 17  2  0     0  0
 23 36  1  6     0  0
 21 18  1  0     0  0
 22 19  1  1     0  0
 22 20  1  0     0  0
 22 21  1  0     0  0
 23 22  1  0     0  0
 24 23  1  0     0  0
 31 24  1  0     0  0
 33 27  1  6  0  0  0
 30 26  1  6  0  0  0
 32 25  1  1  0  0  0
 29 28  1  6  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 34 35  1  0  0  0  0
 34 29  1  0  0  0  0
 33 35  1  0  0  0  0
 33 10  1  0  0  0  0
 32  8  1  0  0  0  0
 32 29  1  0  0  0  0
 33 32  1  0  0  0  0
M  END
> <LM_ID>
LMPR0106050005

> <COMMON_NAME>
Ganodermanontriol

> <SYSTEMATIC_NAME>
3-oxo-lanosta-7,9(11)-dien-24S,25R,26-triol

> <FORMULA>
C30H48O4

> <MASS>
472.36

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Lanostane triterpenoids [PR010605]

> <SYNONYMS>


> <INCHI_KEY>
KASALCUNLBTNAA-LIPCCPSCSA-N

> <INCHI>
InChI=1S/C30H48O4/c1-19(8-11-25(33)30(7,34)18-31)20-12-16-29(6)22-9-10-23-26(2,3)24(32)14-15-27(23,4)21(22)13-17-28(20,29)5/h9,13,19-20,23,25,31,33-34H,8,10-12,14-18H2,1-7H3/t19-,20-,23+,25+,27-,28-,29+,30-/m1/s1

> <SMILES>
C1CC(=O)C(C)(C)[C@]2([H])CC=C3[C@]4([C@@]([C@](CC4)([C@@H](CC[C@@H]([C@](CO)(C)O)O)C)[H])(CC=C3[C@]21C)C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
68858

> <ABBREVIATION>
-

> <CAYMAN_ID>
34325

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
3001811

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
34468

> <CITATION>
33107297

$$$$