LMPR0106050025
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0  0  0  0  0  0  0  0999 V2000
    7.9394   -7.5525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0384   -8.0729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0384   -9.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7416   -9.6335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6424   -9.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8404   -8.0729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7416   -6.5122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6424   -5.9919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5330   -7.8741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1448   -7.0323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7416   -7.5525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6424   -8.0729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5436   -7.5525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5436   -6.5122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3351   -5.1502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4342   -4.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1375   -5.1502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5330   -5.1502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2361   -4.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5330   -6.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2044   -5.8746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9394   -9.6335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8404   -9.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8149   -9.7452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2620  -10.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4360  -10.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8404   -7.0323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5524   -8.5405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6320   -4.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5436   -5.4717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0385   -4.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1375   -6.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2360   -3.6091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6320   -3.6091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7478   -5.1403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -9.6238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1448   -7.0322    0.0000 O   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  2  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
 16 18  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  6  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
 19 33  2  0     0  0
 29 34  2  0     0  0
 29 35  1  0     0  0
  3 36  2  0     0  0
 10 37  1  6     0  0
M  END
> <LM_ID>
LMPR0106050025

> <COMMON_NAME>
(3,24-dioxo-16alpha-hydroxy-6,8(9)-dien-21-oic acid)-lanostane

> <SYSTEMATIC_NAME>
16alpha-hydroxy-3,24-diketo-lanost-6,8-dien-21-oic acid

> <FORMULA>
C30H44O5

> <MASS>
484.32

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Lanostane triterpenoids [PR010605]

> <SYNONYMS>


> <INCHI_KEY>
QIXVNWSYEODKOB-JMFVFATNSA-N

> <INCHI>
InChI=1S/C30H44O5/c1-17(2)21(31)10-8-18(26(34)35)25-22(32)16-30(7)20-9-11-23-27(3,4)24(33)13-14-28(23,5)19(20)12-15-29(25,30)6/h9,11,17-18,22-23,25,32H,8,10,12-16H2,1-7H3,(H,34,35)/t18-,22-,23+,25+,28-,29-,30+/m1/s1

> <SMILES>
C1CC(=O)C(C)(C)[C@]2([H])C=CC3=C([C@]21C)CC[C@]1(C)[C@@]([H])([C@H](C(O)=O)CCC(=O)C(C)C)[C@H](O)C[C@]13C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
81056

> <CITATION>
41106788

$$$$