LMST01031210
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
    8.3563    8.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4098    7.8674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4098    6.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3563    6.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3030    6.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2497    6.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1965    6.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1965    7.8674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2497    8.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3030    7.8674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2497    9.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1965   10.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1429    9.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1429    8.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0363    8.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0363    9.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0897   10.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1429   10.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3030    8.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0897   10.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1995   11.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8470   11.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6043   10.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3617   11.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1187   10.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8762   11.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1187   10.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7028   10.4076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0897   11.8606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.3835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3600   12.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2289    7.4946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1429    7.5658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2086    8.7636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0625    6.2744    0.0000 O   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  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  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  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  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 28  1  6  0  0  0
 20 29  1  1  0  0  0
  3 30  1  1  0  0  0
 24 31  1  6  0  0  0
  9 32  1  6  0  0  0
 14 33  1  6  0  0  0
  8 34  1  1     0  0
  7 35  1  1     0  0
M  END
> <LM_ID>
LMST01031210

> <COMMON_NAME>
Stylisterol A

> <SYSTEMATIC_NAME>
Ergosta-5,22E-dien-3beta,7beta,8beta-triol

> <FORMULA>
C28H46O3

> <MASS>
430.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BGFRISIFIPOKIE-YFUYNSJXSA-N

> <INCHI>
InChI=1S/C28H46O3/c1-17(2)18(3)7-8-19(4)22-9-10-23-27(22,6)14-12-24-26(5)13-11-21(29)15-20(26)16-25(30)28(23,24)31/h7-8,16-19,21-25,29-31H,9-15H2,1-6H3/b8-7+/t18-,19+,21-,22+,23+,24+,25-,26-,27+,28+/m0/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)/C=C/[C@H](C)C(C)C)CC[C@@]4([H])[C@]3(O)[C@@H](O)C=C2C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 28:2;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11316374

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2627146

> <CITATION>
15610898

$$$$