LMST01031228
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0     0  0            999 V2000
    5.7061   -3.9506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7795   -4.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7795   -5.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7061   -6.0913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6331   -5.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5600   -6.0913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   -5.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   -4.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5600   -3.9506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6331   -4.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5600   -2.8804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   -2.3452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4137   -2.8804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4137   -3.9506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2675   -3.9506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2675   -2.8804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3406   -2.3452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6331   -3.7364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3406   -1.4890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4690   -1.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0822   -1.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8237   -1.4890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5653   -1.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3064   -1.4890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0481   -1.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3064   -2.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9411   -1.9987    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3406   -0.5760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1164   -5.9386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6331   -6.5350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5653   -0.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3899   -2.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5599   -7.0713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3494   -6.0538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5600   -4.9464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   -3.4900    0.0000 H   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  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
 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
  5 30  1  1     0  0
 23 31  1  6     0  0
 13 32  1  1  0  0  0
  6 33  1  6     0  0
 14 15  2  0  0  0  0
  7 34  1  6     0  0
  9 35  1  6     0  0
  8 36  1  6     0  0
M  END
> <LM_ID>
LMST01031228

> <COMMON_NAME>
Fomentarol B

> <SYSTEMATIC_NAME>
3beta,5beta,6alpha,7alpha-tetrahydroxy8alpha,9alpha-dihydroergosta-14,22-diene

> <FORMULA>
C28H46O4

> <MASS>
446.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RAPOCBSGSDLPRY-FGHZURRLSA-N

> <INCHI>
InChI=1S/C28H46O4/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27,32)25(31)24(23)30/h7-8,10,16-20,22-25,29-32H,9,11-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,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=C4[C@@]3([H])[C@H](O)[C@H](O)[C@]2(O)C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 28:2;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
139586659

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
40442

> <CITATION>
23747096

$$$$