LMST01110004
  LIPID_MAPS_STRUCTURE_DATABASE

 36 40  0     0  0            999 V2000
    8.3609    8.2532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4116    7.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4116    6.6088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3609    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3101    6.6088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2595    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2089    6.6088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2089    7.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2595    8.2532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3101    7.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2595    9.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2089    9.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1581    9.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1581    8.2532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0569    8.2532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0569    9.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1076    9.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1581   10.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3101    8.4726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1076   10.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2149   11.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8671   11.2128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6265   10.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3860   11.2128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7225   10.2523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1076   11.7095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.2168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2089    8.6368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2387    7.3311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1581    7.4025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1222   10.7877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8586   11.2128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1222   10.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6265   11.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2241   12.4475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8310    9.9427    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  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
  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 25  1  6  0  0  0
 20 26  1  1  0  0  0
  3 27  1  1  0  0  0
  8 28  1  1  0  0  0
  9 29  1  6  0  0  0
 14 30  1  6  0  0  0
 24 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 23 34  1  0  0  0  0
 34 24  2  0  0  0  0
 34 35  1  0  0  0  0
 23 36  1  1  0  0  0
M  END
> <LM_ID>
LMST01110004

> <COMMON_NAME>
(23R)-isocalysterol

> <SYSTEMATIC_NAME>
23R,28-cyclostigmasta-5,24(28)-dien-3beta-ol

> <FORMULA>
C29H46O

> <MASS>
410.35

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Calysterols and cyclopropyl sidechain derivatives [ST0111]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HBUXJBGKOKXRBP-KHNVBWEVSA-N

> <INCHI>
InChI=1S/C29H46O/c1-17(2)27-19(4)23(27)15-18(3)24-9-10-25-22-8-7-20-16-21(30)11-13-28(20,5)26(22)12-14-29(24,25)6/h7,17-18,21-26,30H,8-16H2,1-6H3/t18-,21+,22+,23-,24-,25+,26+,28+,29-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)C[C@]5([H])C(C)=C5C(C)C)CC[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 29:3;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13887035

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2025859

> <CITATION>
-

$$$$