LMST01031285
  LIPID_MAPS_STRUCTURE_DATABASE

 48 52  0     0  0            999 V2000
    8.3219    8.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3793    7.8351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3793    6.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3219    6.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2648    6.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2076    6.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1505    6.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1505    7.8351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2076    8.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2648    7.8351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2076    9.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1505   10.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0930    9.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0930    8.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9786    8.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9786    9.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0359   10.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0930   10.5110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2648    8.7716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0359   10.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1493   11.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7901   11.3187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5443   10.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2985   11.3187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0524   10.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8068   11.3187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0524   10.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6465   10.3648    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7049    6.3573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1868    7.6879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0930    7.6841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2985   12.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6961    4.6383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7027    4.6524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7227    6.3829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2158    7.2311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7499    7.9307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7105    6.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2061    5.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2069    5.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7171    6.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2215    7.2367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7315    8.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9150    9.6501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1505    8.6069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0129    6.2486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7901   12.3146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3219    9.3794    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  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  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
  3 29  1  1  0  0  0
  9 30  1  6  0  0  0
 14 31  1  6  0  0  0
 24 32  1  0     0  0
 37 43  1  0     0  0
 42 36  1  0     0  0
 36 38  1  0     0  0
 38 39  1  0     0  0
 39 40  1  0     0  0
 40 41  1  0     0  0
 41 42  1  0     0  0
 42 43  1  1     0  0
 38 29  1  1     0  0
 39 33  1  6     0  0
 40 34  1  1     0  0
 41 35  1  6     0  0
 27 44  1  0     0  0
  8 45  1  1     0  0
  7 46  1  6     0  0
 22 47  1  6     0  0
  1 48  1  6     0  0
M  END
> <LM_ID>
LMST01031285

> <COMMON_NAME>
Mantuoluoside A

> <SYSTEMATIC_NAME>
1alpha,7alpha,22R,26-tetrahydroxy- ergost-5,24Z-diene 3-O-beta-D-glucopyranoside

> <FORMULA>
C34H56O10

> <MASS>
624.39

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(20S,22R,24Z)-1alpha,7alpha,22,26-tetrahydroxy-ergost-5,24-diene 3-O-beta-D-glucopyranoside

> <INCHI_KEY>
YIDFBVOIHQLSKC-XGWUUIJSSA-N

> <INCHI>
InChI=1S/C34H56O10/c1-16(17(2)14-35)10-24(37)18(3)21-6-7-22-28-23(8-9-33(21,22)4)34(5)19(12-25(28)38)11-20(13-27(34)39)43-32-31(42)30(41)29(40)26(15-36)44-32/h12,18,20-32,35-42H,6-11,13-15H2,1-5H3/b17-16-/t18-,20+,21+,22-,23-,24+,25+,26+,27-,28-,29+,30-,31+,32+,33+,34-/m0/s1

> <SMILES>
[C@@H]1(O)[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@H](C)[C@H](O)C/C(/C)=C(\CO)/C)CC[C@@]4([H])[C@]3([H])[C@H](O)C=C2C[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 28:2;O5;Hex

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171116441

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Sterol Lipids [ST]

> <ALT_MAIN_CLASSES>
Steroid conjugates [ST05]

> <ALT_SUB_CLASSES>
Other Steroid conjugates [ST0505]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
4076

> <CITATION>
36272704

$$$$