LMST01010604
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0     0  0            999 V2000
   11.0543    8.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1840    9.2796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0374    7.8349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3223    8.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1756   10.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1924    7.2858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0500   10.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3223    7.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4605    9.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3138    9.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1756    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4605    7.2816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6114    8.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6114    7.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7368    9.2838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.2816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1756    8.2700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3138    6.7745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9001    8.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4899    9.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9566   10.2978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9566   11.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9523    9.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9523    8.2904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7653   11.2426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9067   10.6023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6349   11.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4989   12.0989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9067   11.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0427   12.0989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7707   12.0989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7707   13.0966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2271   12.0989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3630   10.6023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3630   11.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9067   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0931   11.5989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  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  5  1  0  0  0  0
  2 17  1  6  0  0  0
  3  6  1  0  0  0  0
 21  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  1  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  6  8  1  0  0  0  0
  8 12  1  0  0  0  0
  8 18  1  1  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  1  0  0  0
 13 14  1  0  0  0  0
 14 16  1  1  0  0  0
 26 21  1  0  0  0  0
 21 23  1  0  0  0  0
 23 19  1  0  0  0  0
 26 20  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  1  0  0  0
 23 24  1  6  0  0  0
 26 25  1  6  0  0  0
 26 29  1  0  0  0  0
 29 31  1  0  0  0  0
 31 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 35  1  0  0  0  0
 29 30  1  6  0  0  0
 31 32  1  6  0  0  0
 35 33  1  0  0  0  0
 35 34  1  0  0  0  0
 29 36  1  1     0  0
 33 37  1  0     0  0
M  END
> <LM_ID>
LMST01010604

> <COMMON_NAME>
Inokosterone

> <SYSTEMATIC_NAME>
2beta,3beta,14alpha,20R,22R,26-hexahydroxy-5beta-cholest-7-en-6-one

> <FORMULA>
C27H44O7

> <MASS>
480.31

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Calinecdysone A

> <INCHI_KEY>
JQNVCUBPURTQPQ-XDWLXSIGSA-N

> <INCHI>
InChI=1S/C27H44O7/c1-15(14-28)5-6-23(32)26(4,33)22-8-10-27(34)17-11-19(29)18-12-20(30)21(31)13-24(18,2)16(17)7-9-25(22,27)3/h11,15-16,18,20-23,28,30-34H,5-10,12-14H2,1-4H3/t15?,16-,18-,20+,21-,22-,23+,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])CC[C@@]1(C)[C@@]2(O)CC[C@@]1([C@](O)(C)[C@H](O)CCC(C)CO)[H])=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:2;O7

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5458789

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
384659

> <CITATION>
6069381

$$$$