LMST01031378
  LIPID_MAPS_STRUCTURE_DATABASE

 37 41  0  0  0  0  0  0  0  0999 V2000
    8.1198  -10.5270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1654  -11.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1654  -12.1801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1198  -12.7313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0743  -12.1801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0288  -12.7313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9835  -12.1801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9835  -11.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0288  -10.5270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0743  -11.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0288   -9.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9835   -8.8736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9377   -9.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9377  -10.5270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8467  -10.5270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8467   -9.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8923   -8.8736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9377   -8.5705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0743  -10.3064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8923   -7.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9948   -7.7516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6559   -7.5512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4194   -7.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9464   -7.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7101   -7.5512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9464   -8.7364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5104   -8.5169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4826  -12.5743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1814   -6.6154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0079  -11.4540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9377  -11.3822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4185   -7.1120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1523   -6.6777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0743  -13.1884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4447   -8.5465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0287  -13.7396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1831   -7.5512    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>
LMST01031378

> <COMMON_NAME>
Xylarstane B

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

> <FORMULA>
C28H46O4

> <MASS>
446.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UDHFJTHHNHDZSF-MXQADMAHSA-N

> <INCHI>
InChI=1S/C28H46O4/c1-15(2)16(3)24-25(32-24)17(4)20-7-8-21-19-13-23(30)28(31)14-18(29)9-12-27(28,6)22(19)10-11-26(20,21)5/h13,15-18,20-25,29-31H,7-12,14H2,1-6H3/t16-,17+,18+,20-,21+,22+,23-,24+,25+,26-,27-,28+/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@H](C)[C@]5([H])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 28:2;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
178334284

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1715255

> <CITATION>
41285194

$$$$