LMST01031227
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0     0  0            999 V2000
    5.7487   -3.9801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8151   -4.5192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8151   -5.5974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7487   -6.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6826   -5.5974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6165   -6.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5504   -5.5974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5504   -4.5192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6165   -3.9801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6826   -4.5192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6165   -2.9018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5504   -2.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4839   -2.9018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4839   -3.9801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3515   -3.9801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3515   -2.9018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4178   -2.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6826   -3.7643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4178   -1.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5397   -1.2648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1648   -1.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9119   -1.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6590   -1.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4057   -1.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1529   -1.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4057   -2.3763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0227   -2.0136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4178   -0.5802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1471   -5.9830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4839   -4.8168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6826   -6.5838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6590   -0.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4599   -2.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6164   -7.1241    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  2  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 19  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  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
 10 18  1  1  0  0  0
 19 20  1  6  0  0  0
 17 27  1  6  0  0  0
 19 28  1  1  0  0  0
  3 29  1  1  0  0  0
 14 30  1  6  0  0  0
  5 31  1  6     0  0
 23 32  1  6     0  0
 13 33  1  1  0  0  0
  6 34  1  1     0  0
M  END
> <LM_ID>
LMST01031227

> <COMMON_NAME>
Fomentarol A

> <SYSTEMATIC_NAME>
3beta,5alpha,6beta,14alpha-tetrahydroxyergosta-7,9(11),22-triene

> <FORMULA>
C28H44O4

> <MASS>
444.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UINOLJHENPVVMP-STGSRIEASA-N

> <INCHI>
InChI=1S/C28H44O4/c1-17(2)18(3)7-8-19(4)21-11-14-27(31)23-15-24(30)28(32)16-20(29)9-12-26(28,6)22(23)10-13-25(21,27)5/h7-8,10,15,17-21,24,29-32H,9,11-14,16H2,1-6H3/b8-7+/t18-,19+,20-,21+,24+,25+,26+,27+,28-/m0/s1

> <SMILES>
C1[C@]2(C)C3=CC[C@]4(C)[C@@]([H])([C@]([H])(C)/C=C/[C@H](C)C(C)C)CC[C@@]4(O)C3=C[C@@H](O)[C@@]2(O)C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 28:3;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
71734607

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
40442

> <CITATION>
23747096

$$$$