LMST01010601
  LIPID_MAPS_STRUCTURE_DATABASE

 39 42  0     0  0            999 V2000
    8.6224    9.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7448    8.9801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7448    7.9972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6224    7.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4998    7.9972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3422    7.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2196    7.9972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2196    9.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3422    9.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4998    8.9801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3422   10.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2196   10.9805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0620   10.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0620    9.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7818    9.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7818   10.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9394   10.9805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0620   11.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4998    9.9629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9394   11.9984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0620   12.4896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8170   12.4896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6592   11.9984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5366   12.4896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3790   11.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3790   10.9454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2563   12.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3928    8.7067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7818   11.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3422    6.4880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8676    7.4706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2301   11.4255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4745    7.2321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0825    8.6942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6503   10.9855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9932    7.9558    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.6108    7.1412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4261    8.7307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1188    8.4410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 17 13  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  1  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
  8 14  1  0  0  0  0
 10  9  1  0  0  0  0
  8  9  1  0  0  0  0
  9 28  1  6  0  0  0
 11  9  1  0  0  0  0
  7  8  2  0  0  0  0
  5 10  1  0  0  0  0
 10 19  1  1  0  0  0
  1 10  1  0  0  0  0
 16 17  1  0  0  0  0
 20 17  1  0  0  0  0
 17 29  1  6  0  0  0
 11 12  1  0  0  0  0
 16 15  1  0  0  0  0
  6  7  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  5 33  1  1  0  0  0
 22 20  1  0  0  0  0
 20 21  1  6  0  0  0
  2  1  1  0  0  0  0
 22 23  1  0  0  0  0
 24 23  1  0  0  0  0
  3  4  1  0  0  0  0
 25 24  1  0  0  0  0
 27 25  1  0  0  0  0
 26 25  1  0  0  0  0
 32 25  1  0  0  0  0
  3  2  1  0  0  0  0
  3 31  1  1  0  0  0
  6 30  2  0  0  0  0
 14 34  1  6     0  0
 23 35  1  1     0  0
 31 36  1  0     0  0
 36 37  1  0     0  0
 36 38  1  0     0  0
 36 39  2  0     0  0
M  END
> <LM_ID>
LMST01010601

> <COMMON_NAME>
2,22-dideoxy-23-hydroxyecdysone phosphate

> <SYSTEMATIC_NAME>
14alpha,23S,25-trihydroxy-6-oxo-5beta-cholest-7-en-3beta-yl dihydrogen phosphate

> <FORMULA>
C27H45O8P

> <MASS>
528.29

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MBPDADAZJVRECC-SKYCAMSBSA-N

> <INCHI>
InChI=1S/C27H45O8P/c1-16(12-17(28)15-24(2,3)30)19-8-11-27(31)21-14-23(29)22-13-18(35-36(32,33)34)6-9-25(22,4)20(21)7-10-26(19,27)5/h14,16-20,22,28,30-31H,6-13,15H2,1-5H3,(H2,32,33,34)/t16-,17+,18+,19-,20+,22+,25-,26-,27-/m1/s1

> <SMILES>
C1C[C@H](OP(=O)(O)O)C[C@@]2([H])C(=O)C=C3[C@@](CC[C@]4([C@@]3(O)CC[C@]4([H])[C@H](C)C[C@H](O)CC(O)(C)C)C)([H])[C@]21C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171117806

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
7091

> <CITATION>
-

$$$$