LMST01031377
  LIPID_MAPS_STRUCTURE_DATABASE

 37 41  0  0  0  0  0  0  0  0999 V2000
    8.1483   -7.7120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2018   -8.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2018   -9.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1483   -9.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0950   -9.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0417   -9.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9885   -9.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9885   -8.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0417   -7.7120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0950   -8.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0417   -6.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9885   -6.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9349   -6.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9349   -7.7120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8283   -7.7120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8283   -6.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8817   -6.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9349   -5.7716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0950   -7.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8817   -5.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9915   -4.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6390   -4.7606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3963   -5.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9107   -5.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6682   -4.7606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9107   -5.9361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4947   -5.7184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5246   -9.7425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1520   -3.8325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0209   -8.6314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9349   -8.5602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3954   -4.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1395   -3.8943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0950  -10.3516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4213   -5.7478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0416  -10.8983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1537   -4.7606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 20  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
  9 10  1  0  0  0  0
  8 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  1  0  0  0
 10 19  1  1  0  0  0
 20 21  1  6  0  0  0
 17 27  1  6  0  0  0
  3 28  1  1  0  0  0
  9 30  1  6  0  0  0
 14 31  1  6  0  0  0
 23 32  1  0     0  0
 32 22  1  0     0  0
 22 33  1  1     0  0
  5 34  1  6     0  0
 23 35  1  6     0  0
  6 36  1  1     0  0
 37 29  1  6  0  0  0
 37 24  1  0  0  0  0
 23 37  1  0  0  0  0
M  END
> <LM_ID>
LMST01031377

> <COMMON_NAME>
Xylarstane A

> <SYSTEMATIC_NAME>
22S-methyl-ergosta-7-en-22,23R-epoxy-3beta,5alpha,6beta-triol

> <FORMULA>
C29H48O4

> <MASS>
460.36

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UDOGLCLKJVDACR-ILJNUFGOSA-N

> <INCHI>
InChI=1S/C29H48O4/c1-16(2)17(3)25-28(7,33-25)18(4)21-8-9-22-20-14-24(31)29(32)15-19(30)10-13-27(29,6)23(20)11-12-26(21,22)5/h14,16-19,21-25,30-32H,8-13,15H2,1-7H3/t17-,18+,19+,21-,22+,23+,24-,25+,26-,27-,28+,29+/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@H](C)[C@]5(C)O[C@]5([C@@H](C(C)C)C)[H])CC[C@@]4([H])C3=C[C@@H](O)[C@@]2(O)C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 29:2;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
178334283

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1715255

> <CITATION>
41285194

$$$$