LMST01010186
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0  0  0  0  0  0  0  0999 V2000
    9.1200    7.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4020    7.6559    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1060    6.4639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6910    7.2412    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3950    8.4889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4090    6.0108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1165    8.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6910    6.4186    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9799    7.6455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6840    8.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3950    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9799    6.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2794    7.2412    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2794    6.4186    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5579    7.6594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3950    6.8229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6840    5.5890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6429    7.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1295    8.0791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8645    8.4959    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8645    9.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8610    7.6629    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8610    6.8397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3567    9.2754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6483    8.7471    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0742    9.5702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7870    9.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3613    9.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2129    9.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4999    8.7471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4999    9.5702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2129    9.1587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6483    9.5702    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.6483   10.3934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9355    9.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2226    9.5702    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 34  1  0  0  0  0
 34 29  1  0  0  0  0
 29 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 32  1  0  0  0  0
 34 36  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  0  0  0  0
 36 37  1  0  0  0  0
M  END
> <LM_ID>
LMST01010186

> <COMMON_NAME>
22-deoxy-20,21-dihydroxyecdysone

> <SYSTEMATIC_NAME>
2beta,3beta,14,20,21,25-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>


> <INCHI_KEY>
ICVFXEQYDYKIJU-VOCVGKOUSA-N

> <INCHI>
InChI=1S/C27H44O7/c1-23(2,32)8-5-9-26(33,15-28)22-7-11-27(34)17-12-19(29)18-13-20(30)21(31)14-24(18,3)16(17)6-10-25(22,27)4/h12,16,18,20-22,28,30-34H,5-11,13-15H2,1-4H3/t16-,18-,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])CC[C@@]1(C)[C@@]2(O)CC[C@@]1([C@](O)(CO)CCCC(O)(C)C)[H])=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
19804

> <ABBREVIATION>
ST 27:2;O7

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
23657821

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$