LMST01010177
  LIPID_MAPS_STRUCTURE_DATABASE

 39 42  0  0  0  0  0  0  0  0999 V2000
    9.1204    7.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4023    7.6561    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.1064    6.4640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6912    7.2414    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4093    6.0109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1169    8.9076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6912    6.4187    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9801    7.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6842    8.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3953    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9801    6.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2795    7.2414    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2795    6.4187    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5579    7.6596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.0074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3953    6.8231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6842    5.5891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6434    7.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1301    8.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8649    8.4963    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8649    9.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8614    7.6631    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8614    6.8398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3573    9.2758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6489    8.7474    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0749    9.5707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9360    9.9823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3619    9.9823    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3619   10.8056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2138    9.9823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5008    8.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5008    9.5707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2138    9.1591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3953    8.4893    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6823    8.9009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6489    9.5707    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.6489   10.3940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7878    9.9823    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.7878   10.8056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2 34  1  0  0  0  0
  2 16  1  6  0  0  0
  3  5  1  0  0  0  0
 20  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  1  0  0  0
 34  6  1  0  0  0  0
  5 10  2  0  0  0  0
  5  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7 17  1  1  0  0  0
  8 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  1  0  0  0
 12 13  1  0  0  0  0
 13 15  1  1  0  0  0
 25 20  1  0  0  0  0
 20 22  1  0  0  0  0
 22 18  1  0  0  0  0
 25 19  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  1  0  0  0
 22 23  1  6  0  0  0
 25 24  1  6  0  0  0
 25 36  1  0  0  0  0
 36 28  1  0  0  0  0
 28 26  1  0  0  0  0
 26 38  1  0  0  0  0
 38 32  1  0  0  0  0
 36 27  1  6  0  0  0
 28 29  1  6  0  0  0
 32 30  1  0  0  0  0
 32 31  1  0  0  0  0
 32 33  1  0  0  0  0
 34 35  1  6  0  0  0
 36 37  1  0  0  0  0
 38 39  1  1  0  0  0
M  END
> <LM_ID>
LMST01010177

> <COMMON_NAME>
(24R)-11alpha,20,24-trihydroxyecdysone

> <SYSTEMATIC_NAME>
(22R,24R)-2beta,3beta,11alpha,14,20,22,24,25-octahydroxy-5beta-cholest-7-en-6-one

> <FORMULA>
C27H44O9

> <MASS>
512.30

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JZLJYAKQIWKLJN-GZOLVMJQSA-N

> <INCHI>
InChI=1S/C27H44O9/c1-23(2,34)20(32)10-21(33)26(5,35)19-6-7-27(36)14-9-15(28)13-8-16(29)17(30)11-24(13,3)22(14)18(31)12-25(19,27)4/h9,13,16-22,29-36H,6-8,10-12H2,1-5H3/t13-,16+,17-,18+,19-,20+,21+,22+,24-,25+,26+,27+/m0/s1

> <SMILES>
C12=CC([C@]3([H])C[C@@H](O)[C@@H](O)C[C@]3(C)[C@@]1([H])[C@H](O)C[C@@]1(C)[C@@]2(O)CC[C@@]1([C@](O)(C)[C@H](O)C[C@@H](O)C(O)(C)C)[H])=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
18531

> <ABBREVIATION>
ST 27:2;O9

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16755634

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$