LMST01031372
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0     0  0            999 V2000
    8.5033  -10.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3736  -10.7538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3736  -11.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5033  -12.2613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6330  -11.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6330  -10.7538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2441  -10.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1144  -10.7537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1144  -11.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2441  -12.2613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2440   -9.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1143   -8.7437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9847   -9.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9847  -10.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8551   -8.7436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7255   -9.2461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7256  -10.2511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8551   -7.7386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7254   -7.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9846   -7.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5958   -7.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4661   -7.2359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3365   -7.7384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2069   -7.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3365   -8.7434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4661   -6.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7626  -12.2613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3736   -9.7488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9847   -8.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1144   -9.7487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2318  -10.9510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9468  -11.0011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3989   -8.3918    0.0000 H   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  2  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  1  0     0  0
  9 10  2  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
 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
 23 24  1  0     0  0
 23 25  1  0     0  0
 22 26  1  6     0  0
  5 27  2  0     0  0
  2 28  1  1     0  0
 13 29  1  1     0  0
  8 30  1  1     0  0
  7 31  1  6     0  0
 14 32  1  6     0  0
 15 33  1  6     0  0
 14 17  1  0     0  0
M  END
> <LM_ID>
LMST01031372

> <COMMON_NAME>
Isocyathisterol

> <SYSTEMATIC_NAME>
8beta-hydroxyergosta-4,6,22-triene-3-one

> <FORMULA>
C28H42O2

> <MASS>
410.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UVNYUMXKLUCIGN-CMLOMSQHSA-N

> <INCHI>
InChI=1S/C28H42O2/c1-18(2)19(3)7-8-20(4)23-9-10-24-27(23,6)15-13-25-26(5)14-12-22(29)17-21(26)11-16-28(24,25)30/h7-8,11,16-20,23-25,30H,9-10,12-15H2,1-6H3/b8-7+/t19-,20+,23+,24+,25+,26-,27+,28+/m0/s1

> <SMILES>
C1CC(=O)C=C2C=C[C@@]3(O)[C@@]4(CC[C@]([H])([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]4(C)CC[C@]3([H])[C@@]12C)[H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 28:4;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
132849744

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
40382

> <CITATION>
24896666

$$$$