LMST01100046
  LIPID_MAPS_STRUCTURE_DATABASE

 36 41  0     0  0            999 V2000
    3.7022   -6.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5572   -6.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5572   -7.7747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7022   -8.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8473   -7.7747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8473   -6.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4122   -6.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2673   -6.7873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2673   -7.7747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4122   -8.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4121   -5.3064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2672   -4.8128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8321   -5.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8322   -6.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5572   -5.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9923   -8.2683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0361   -4.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2083   -7.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9772   -3.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8320   -3.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1221   -3.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6871   -3.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5421   -3.3316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5312   -8.5001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2552   -5.9767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5360   -4.4425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9460   -8.9029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3368   -9.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8319   -2.3445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5420   -2.3452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3630   -2.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7133   -1.3737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3964   -3.8247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  1  1  0     0  0
  2  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  3  1  0     0  0
  7 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14  8  1  0     0  0
 13 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 14 17  1  0     0  0
  7 18  1  1     0  0
  2 18  1  1     0  0
  5 19  1  1     0  0
 13 20  1  1     0  0
 14 21  1  6     0  0
 15 22  1  0     0  0
 22 23  1  0     0  0
 22 24  1  6     0  0
 23 25  1  0     0  0
 25 26  1  0     0  0
  3 27  1  6     0  0
  8 28  1  1     0  0
 15 29  1  6     0  0
  4 30  1  0     0  0
  4 31  1  0     0  0
 23 32  1  6     0  0
 26 33  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 33 35  1  0     0  0
 26 36  1  6     0  0
M  END
> <LM_ID>
LMST01100046

> <COMMON_NAME>
Cyclokirilodiol

> <SYSTEMATIC_NAME>
22R,25-epoxy-9beta,19-Cyclolanostane-3beta,24R-diol

> <FORMULA>
C30H50O3

> <MASS>
458.38

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cycloartanols and derivatives [ST0110]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MCQQYOJCESNCDO-BWYHHQQSSA-N

> <INCHI>
InChI=1S/C30H50O3/c1-18(20-16-24(32)26(4,5)33-20)19-10-12-28(7)22-9-8-21-25(2,3)23(31)11-13-29(21)17-30(22,29)15-14-27(19,28)6/h18-24,31-32H,8-17H2,1-7H3/t18-,19+,20+,21-,22-,23-,24+,27+,28-,29+,30-/m0/s1

> <SMILES>
C1C[C@H](O)C(C)(C)[C@]2([H])CC[C@@]3([H])[C@]4(C)CC[C@]([H])([C@H](C)[C@@H]5OC(C)(C)[C@H](O)C5)[C@@]4(C)CC[C@@]43C[C@]124

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 30:2;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
178334342

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1640456

> <CITATION>
34881656

$$$$