LMST01031304
  LIPID_MAPS_STRUCTURE_DATABASE

 34 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   11.9935    0.0000 C   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
   10.2440    7.3744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2496    5.2277    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  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  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
 14 32  1  6  0  0  0
  5 33  1  6     0  0
  9 33  1  6  0  0  0
  6 34  1  6     0  0
M  END
> <LM_ID>
LMST01031304

> <COMMON_NAME>
Anatoluin A

> <SYSTEMATIC_NAME>
5alpha,9alpha-epoxy-ergosta-7,22E-dien-3beta,6alpha-diol

> <FORMULA>
C28H44O3

> <MASS>
428.33

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SGSRWXXPRXGSLA-VGYMNWRNSA-N

> <INCHI>
InChI=1S/C28H44O3/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28-16-20(29)11-12-26(28,6)27(23,31-28)14-13-25(21,22)5/h7-8,15,17-22,24,29-30H,9-14,16H2,1-6H3/b8-7+/t18-,19+,20-,21+,22-,24-,25+,26+,27+,28-/m0/s1

> <SMILES>
C1[C@]2(C)[C@]34O[C@]2([C@@H](O)C=C3[C@]2([H])CC[C@@]([H])([C@@]2(C)CC4)[C@]([H])(C)/C=C/[C@H](C)C(C)C)C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 28:3;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171116450

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
504458

> <CITATION>
36480815

$$$$