LMST01010530
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0     0  0            999 V2000
    6.2789   -5.1262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1285   -5.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1285   -6.5978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2789   -7.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4294   -6.5978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4294   -5.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9783   -5.1262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8278   -5.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8278   -6.5978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9783   -7.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9782   -4.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8277   -3.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6774   -4.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6774   -5.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5271   -3.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3768   -4.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3769   -5.1260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9783   -8.0695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6774   -7.0884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5271   -2.6733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3767   -2.1826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6773   -2.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2263   -2.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0759   -2.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9256   -2.6731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7752   -2.1824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9256   -3.6541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7752   -3.1635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5797   -5.1262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5797   -7.0884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1285   -4.6356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6774   -3.1639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5271   -1.6922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3768   -3.1638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3767   -1.2015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9783   -6.1262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0840   -5.8331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  1  1  0     0  0
  2  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  3  2  0     0  0
  7 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14  8  2  0     0  0
 13 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 14 17  1  0     0  0
 10 18  1  0     0  0
  9 19  2  0     0  0
 15 20  1  0     0  0
 20 21  1  0     0  0
 20 22  1  0     0  0
 21 23  1  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 25 27  1  0     0  0
 25 28  1  0     0  0
  6 29  1  1     0  0
  5 30  1  1     0  0
  2 31  1  1     0  0
 13 32  1  1     0  0
 20 33  1  1     0  0
 15 34  1  6     0  0
 21 35  1  6     0  0
  7 36  1  6     0  0
 17 37  1  6     0  0
M  END
> <LM_ID>
LMST01010530

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
2beta,3beta,6,9alpha,15alpha,20R,22R,25-octahydroxycholesta-5,8(14)-dien-7-one

> <FORMULA>
C27H42O9

> <MASS>
510.28

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
INTWDRYUEZFZCT-XVWZTPFFSA-N

> <INCHI>
InChI=1S/C27H42O9/c1-23(2,34)7-6-18(31)26(5,35)17-11-15(29)19-20-22(33)21(32)13-10-14(28)16(30)12-25(13,4)27(20,36)9-8-24(17,19)3/h14-18,28-32,34-36H,6-12H2,1-5H3/t14-,15+,16+,17+,18-,24-,25+,26-,27-/m1/s1

> <SMILES>
C1[C@H](O)[C@H](O)CC2=C(O)C(=O)C3=C4[C@@H](O)C[C@]([H])([C@](O)(C)[C@H](O)CCC(O)(C)C)[C@@]4(C)CC[C@]3(O)[C@@]12C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:3;O9

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171116432

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1503182

> <CITATION>
36825873

$$$$