LMST01031316
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0     0  0            999 V2000
    8.6857    9.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8017    9.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8017    8.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6857    7.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5695    8.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4181    7.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3019    8.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3019    9.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4181    9.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5695    9.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4181   10.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3019   11.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1504   10.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1504    9.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8830    9.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8830   10.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0343   11.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1504   11.5561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5695   10.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0343   12.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1504   12.5813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4181    8.5155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4181    6.5357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9180    7.5255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5440    7.2852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1711    8.7835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5118   11.2621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6857   10.5409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8970   12.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7663   12.0978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6290   12.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4983   12.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3610   12.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5049   11.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3676   11.6149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0343   13.0864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8904   13.5921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6224   13.6035    0.0000 C   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 22  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
 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 25  1  1  0  0  0
 20 21  1  6  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  3  2  1  0  0  0  0
  3 24  1  1  0  0  0
  6 23  2  0  0  0  0
 14 26  1  6     0  0
 17 27  1  6     0  0
  1 28  1  1     0  0
 20 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 32 34  1  0     0  0
 32 35  1  0     0  0
 20 36  1  1     0  0
 29 37  1  6     0  0
 31 38  1  1     0  0
M  END
> <LM_ID>
LMST01031316

> <COMMON_NAME>
Aervecdysteroid C

> <SYSTEMATIC_NAME>
14,20,22R,25-Hexahydroxy-24R-methyl-5beta-cholesta-7-ene-6-one

> <FORMULA>
C28H46O7

> <MASS>
494.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Ergosterols and C24-methyl derivatives [ST0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
14,20,22R,25-Hexahydroxy-5beta-campesta-7-ene-6-one

> <INCHI_KEY>
MRIMIZCFGDVPMA-OAACSJSGSA-N

> <INCHI>
InChI=1S/C28H46O7/c1-15(24(2,3)33)11-23(32)27(6,34)21-8-10-28(35)18-14-20(30)19-12-16(29)13-22(31)26(19,5)17(18)7-9-25(21,28)4/h14-17,19,21-23,29,31-35H,7-13H2,1-6H3/t15-,16-,17+,19+,21+,22-,23-,25-,26-,27-,28-/m1/s1

> <SMILES>
[C@@H]1(O)C[C@H](O)C[C@@]2([H])C(=O)C=C3[C@@](CC[C@]4([C@@]3(O)CC[C@]4([H])[C@@](O)([C@H](O)C[C@@H](C)C(O)(C)C)C)C)([H])[C@]21C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 28:2;O7

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
102100308

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
240009

> <CITATION>
23933119

$$$$