LMST01031387
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0  0  0  0  0  0  0  0999 V2000
    8.1236   -7.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1770   -8.2461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1770   -9.3391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1236   -9.8858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0702   -9.3391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0169   -9.8858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9637   -9.3391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0702   -8.2461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9637   -6.0597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9101   -6.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9101   -7.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8035   -7.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8035   -6.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6142   -4.7481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3715   -5.1853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1289   -4.7481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8860   -5.1853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6434   -4.7481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8860   -5.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4700   -5.7059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4998   -9.7300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1272   -4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9962   -8.6189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3715   -6.1853    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  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 12 13  1  0  0  0  0
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  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
  9 10  1  0  0  0  0
  8 14  2  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 28  1  6  0  0  0
  3 29  2  0  0  0  0
 24 30  1  6  0  0  0
  9 31  1  6  0  0  0
 23 32  1  0     0  0
M  END
> <LM_ID>
LMST01031387

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
23-methyl-ergosta-4,6,8(14),22-tetraen-3-one

> <FORMULA>
C29H42O

> <MASS>
406.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JWMAZPYTNDALQR-SQMYGUQESA-N

> <INCHI>
InChI=1S/C29H42O/c1-18(2)21(5)19(3)16-20(4)25-10-11-26-24-9-8-22-17-23(30)12-14-28(22,6)27(24)13-15-29(25,26)7/h8-9,16-18,20-21,25,27H,10-15H2,1-7H3/b19-16+/t20-,21-,25-,27+,28+,29-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@H](C)/C=C(\C)/[C@H](C)C(C)C)CCC4=C3C=CC2=CC(=O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 29:5;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
178334286

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
69774

> <CITATION>
42107046

$$$$