LMST01010543
  LIPID_MAPS_STRUCTURE_DATABASE

 37 41  0     0  0            999 V2000
    8.6404    9.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7610    8.9988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7610    8.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6404    7.5215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5196    8.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3638    7.5215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2430    8.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2430    9.0339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3638    9.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5196    8.9988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3638   10.5111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2430   11.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0871   10.5111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0871    9.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8106    9.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8106   10.5111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9664   11.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0871   11.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5196    9.9837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9664   12.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0871   12.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3638    8.4711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3638    6.5016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8819    7.4863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4943    7.2472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1077    8.7377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8983    9.5045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9664   13.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8324   13.5234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6984   13.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6984   12.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8324   11.5234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1003   13.5234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5645   13.5234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6984   12.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1984   11.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4414   11.2034    0.0000 H   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  1  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
  2 27  1  1     0  0
 20 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 20  1  0     0  0
 28 33  1  1     0  0
 30 34  1  1     0  0
 31 35  1  0     0  0
 31 36  1  0     0  0
 17 37  1  6     0  0
M  END
> <LM_ID>
LMST01010543

> <COMMON_NAME>
Aervecdysteroid A

> <SYSTEMATIC_NAME>
2beta,3beta,14alpha,22S-tetrahydroxy-24R-methyl-20,25-epoxy-5beta-cholesta-7-en-6-one

> <FORMULA>
C28H44O6

> <MASS>
476.31

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NDYZFUAVUBZOEK-TYNMLRKQSA-N

> <INCHI>
InChI=1S/C28H44O6/c1-15-11-23(32)27(6,34-24(15,2)3)22-8-10-28(33)17-12-19(29)18-13-20(30)21(31)14-25(18,4)16(17)7-9-26(22,28)5/h12,15-16,18,20-23,30-33H,7-11,13-14H2,1-6H3/t15-,16+,18+,20-,21+,22+,23+,25-,26-,27-,28-/m1/s1

> <SMILES>
C1[C@H](O)[C@H](O)C[C@@]2([H])C(=O)C=C3[C@@](CC[C@]4([C@@]3(O)CC[C@]4([H])[C@]3(OC(C)(C)[C@H](C)C[C@@H]3O)C)C)([H])[C@]21C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 28:3;O6

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
72696238

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
240009

> <CITATION>
23933119

$$$$