LMST01031313
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
    6.7500   -4.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6160   -4.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6160   -5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500   -6.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8840   -5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8840   -4.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4821   -4.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3481   -4.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3481   -5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4821   -6.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4820   -3.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3480   -2.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2141   -3.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2141   -4.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0801   -2.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9462   -3.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9463   -4.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0801   -1.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9461   -1.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2140   -1.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8121   -1.8247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6781   -1.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5442   -1.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6781   -0.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5442   -2.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4102   -1.3245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2141   -2.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6160   -3.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0180   -4.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4821   -7.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6160   -6.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9462   -2.3248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2141   -5.3249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4821   -5.3250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500   -7.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  1  1  0     0  0
  2  7  1  0     0  0
  7  8  1  0     0  0
  8  9  2  0     0  0
  9 10  1  0     0  0
 10  3  1  0     0  0
  7 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14  8  1  0     0  0
 13 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 14 17  1  0     0  0
 15 18  1  0     0  0
 18 19  1  0     0  0
 18 20  1  6     0  0
 19 21  2  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 22 24  1  6     0  0
 23 25  1  0     0  0
 23 26  1  0     0  0
 13 27  1  1     0  0
  2 28  1  1     0  0
  6 29  1  1     0  0
 10 30  1  1     0  0
  3 31  1  6     0  0
 15 32  1  6     0  0
 14 33  1  6     0  0
  7 34  1  6     0  0
 31 35  1  0     0  0
M  END
> <LM_ID>
LMST01031313

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
2beta,6beta-Dihydroxy-5alpha-methoxyergosta-7,22-diene

> <FORMULA>
C29H48O3

> <MASS>
444.36

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OQELOAWIDHUNTF-VQFLSLSASA-N

> <INCHI>
InChI=1S/C29H48O3/c1-18(2)19(3)8-9-20(4)23-10-11-24-22-16-26(31)29(32-7)15-12-21(30)17-28(29,6)25(22)13-14-27(23,24)5/h8-9,16,18-21,23-26,30-31H,10-15,17H2,1-7H3/b9-8+/t19-,20+,21+,23+,24-,25-,26+,27+,28+,29-/m0/s1

> <SMILES>
C1[C@H](O)CC[C@]2(OC)[C@H](O)C=C3[C@]4([H])CC[C@]([H])([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]4(C)CC[C@]3([H])[C@@]12C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 29:2;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
139585815

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
108430

> <CITATION>
27000714

$$$$