LMST01031143
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0     0  0            999 V2000
    9.4958    7.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4903    9.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6089    9.0642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6178    8.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3810    9.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3774    8.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1403    8.0497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1438    9.0683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2642    9.5836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3810   10.0720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2533   10.5738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1302   11.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2533   11.4677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9892   10.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8519   11.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7110   10.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5735   11.0594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3774    7.2585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7110    9.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7416    7.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7416    6.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6178    6.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4958    6.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8713    8.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0008    7.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0008    6.5371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8713    6.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7416    8.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9562    9.9831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4774   11.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6178    7.2552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8553   12.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1433    6.0420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8680    5.0445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6173    5.0348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5685    9.0654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5685    8.0753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7389    5.5295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0     0  0
  1  6  1  0     0  0
  5  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  5  6  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9  5  1  0     0  0
  6  7  1  0     0  0
  5 10  1  1     0  0
  9 11  1  0     0  0
 11 12  1  0     0  0
 11 13  1  1     0  0
 12 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
  6 18  1  6     0  0
 16 19  1  0     0  0
  4 20  1  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 23  1  2  0     0  0
 20 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 21  1  0     0  0
 20 28  1  1     0  0
  9 29  1  6     0  0
 11 30  1  6     0  0
  4 31  1  6     0  0
 15 32  2  0     0  0
 26 33  1  1     0  0
 27 34  1  6     0  0
 22 35  2  0     0  0
 19 36  1  0     0  0
 36 37  1  0     0  0
 21 38  1  6     0  0
M  END
> <LM_ID>
LMST01031143

> <COMMON_NAME>
3beta,4alpha-dihydroxy-26-methoxyergosta-7,24(28)-dien-6-one

> <SYSTEMATIC_NAME>
4alpha-hydroxy,6-oxo,24-methylene-26-methoxy-cholest-7-en-3beta-diol

> <FORMULA>
C29H46O4

> <MASS>
458.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XCLVYKBMNARCLH-YARWUZRLSA-N

> <INCHI>
InChI=1S/C29H46O4/c1-17(19(3)16-33-6)7-8-18(2)21-9-10-22-20-15-25(31)26-27(32)24(30)12-14-29(26,5)23(20)11-13-28(21,22)4/h15,18-19,21-24,26-27,30,32H,1,7-14,16H2,2-6H3/t18-,19?,21-,22+,23+,24+,26+,27-,28-,29-/m1/s1

> <SMILES>
C12=CC(=O)[C@@]3([H])[C@H](O)[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])CCC(=C)C(COC)C)CC[C@@]21[H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 29:3;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
139588631

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
5059

> <CITATION>
21452344

$$$$