LMST01100065
  LIPID_MAPS_STRUCTURE_DATABASE

 38 43  0     0  0            999 V2000
   11.2575   10.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3538   10.2369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3628    9.1932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1713   10.2473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1675    9.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9755    9.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9794   10.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0770   10.7695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0659   11.7851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4644    8.6758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4644    7.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3628    7.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2633    7.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5716    9.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6787    8.6758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6787    7.6449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5716    7.1295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7861    7.1295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6151   10.9623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1568    6.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9583    6.4596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4644    6.7476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6860    9.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1713   11.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1675    8.5367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2633    8.6758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2633    9.7067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3622    6.1116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8548   10.7408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1930   12.2891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1930   13.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0659   13.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9388   13.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9388   12.2891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0395   11.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4428   14.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8117   12.7930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0659   14.8089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 26  3  1  0  0  0  0
 26  5  1  0  0  0  0
  4  1  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  4  1  0  0  0  0
  5  6  1  0  0  0  0
  8  9  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 26  1  0  0  0  0
 10 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 11  1  0  0  0  0
 16 18  1  1  0  0  0
  8 19  1  6  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 11 22  1  6  0  0  0
 10 23  1  1  0  0  0
  3 23  1  1  0  0  0
  4 24  1  1  0  0  0
  5 25  1  6  0  0  0
 26 27  1  1  0  0  0
 12 28  1  6     0  0
  7 29  1  1     0  0
  9 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34  9  1  0     0  0
  9 35  1  6     0  0
 33 36  1  0     0  0
 33 37  1  0     0  0
 32 38  1  6     0  0
M  END
> <LM_ID>
LMST01100065

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
20R,25-epoxy,9beta,19-cyclo-lanostan-3beta,6alpha,16beta,24alpha-tetrol

> <FORMULA>
C30H50O5

> <MASS>
490.37

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cycloartanols and derivatives [ST0110]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3beta,6alpha,16beta,24alpha-tetrahydroxy-20,25-epoxycycloartane

> <INCHI_KEY>
VIOYSPVPEAYUTR-UOUCMYEWSA-N

> <INCHI>
InChI=1S/C30H50O5/c1-24(2)20(33)9-11-30-16-29(30)13-12-26(5)23(28(7)10-8-21(34)25(3,4)35-28)18(32)15-27(26,6)19(29)14-17(31)22(24)30/h17-23,31-34H,8-16H2,1-7H3/t17-,18-,19-,20-,21-,22-,23-,26+,27-,28+,29-,30+/m0/s1

> <SMILES>
C1C[C@@]23C[C@]42CC[C@H](O)C(C)(C)[C@]4([H])[C@@H](O)C[C@@]3([H])[C@]2(C)C[C@H](O)[C@]([H])([C@]3(C)OC(C)(C)[C@@H](O)CC3)[C@@]12C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 30:2;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21592457

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
339519

> <CITATION>
11575952

$$$$