LMPR0106050020
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
   13.9681   11.9348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9676   11.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2388   12.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6491   10.6826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2549    9.8488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6491    9.0149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6689    9.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6736    8.5145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7762    8.8182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8838    9.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8838   10.3642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7762   10.8795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6689   10.3642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7264   11.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9911    8.8182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9911    9.8488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0984    9.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2058    8.8182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2058    7.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3131    7.2721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0984    7.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6137    6.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5831    6.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9911    7.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8838    7.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7762    7.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9950    7.0646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4226   10.8201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6762   11.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6390   11.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3471   10.7905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0924    9.8258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3099   11.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0180   10.3492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6422    7.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  6  0  0  0
  2  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  6  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  7 13  1  0  0  0  0
  4 13  1  0  0  0  0
 13 14  1  1  0  0  0
 10 15  1  0  0  0  0
 15 16  1  1  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  6  0  0  0
 21 23  1  1  0  0  0
 21 24  1  0  0  0  0
 15 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
  9 26  1  0  0  0  0
 24 27  1  6  0  0  0
  4 28  1  6     0  0
  1 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
 33 34  1  0     0  0
 26 35  2  0     0  0
M  END
> <LM_ID>
LMPR0106050020

> <COMMON_NAME>
Ganoderone A

> <SYSTEMATIC_NAME>
(24E)-26-hydroxylanosta-8,24-diene-3,7-dione

> <FORMULA>
C30H46O3

> <MASS>
454.34

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Lanostane triterpenoids [PR010605]

> <SYNONYMS>
5alpha-lanosta-8,24-diene-26-hydroxy-3,7-dione

> <INCHI_KEY>
SDAWCNCFVWQZDP-GOUGDUPLSA-N

> <INCHI>
InChI=1S/C30H46O3/c1-19(18-31)9-8-10-20(2)21-11-16-30(7)26-22(12-15-29(21,30)6)28(5)14-13-25(33)27(3,4)24(28)17-23(26)32/h9,20-21,24,31H,8,10-18H2,1-7H3/b19-9+/t20-,21-,24+,28-,29-,30+/m1/s1

> <SMILES>
C(C/C=C(/CO)\C)[C@H]([C@]1([H])[C@]2(C)[C@@](C3C(=O)C[C@]4([H])[C@@](CCC([C@@]4(C)C)=O)(C)C=3CC2)(C)CC1)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
65945

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11705156

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
34464

> <CITATION>
16378363

$$$$