LMST01031398
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0  0  0  0  0999 V2000
    5.8472   -7.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9225   -8.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9225   -9.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8472   -9.7428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7718   -9.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6965   -9.7428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6211   -9.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6211   -8.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6965   -7.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7718   -8.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6965   -6.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6211   -6.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5457   -6.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5457   -7.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3950   -7.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3950   -6.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4705   -6.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5457   -5.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7718   -7.3938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4705   -5.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6010   -4.9189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2101   -4.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9498   -5.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6895   -4.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0692   -5.6603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4705   -4.2412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2613   -9.5908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6211   -7.2336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6763   -8.5054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5457   -8.4359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5480   -5.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4065   -4.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5479   -6.2116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6894   -3.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4866   -9.7088    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
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 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  2  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
 31 32  1  0     0  0
 31 33  1  0     0  0
 24 34  1  1     0  0
  7 35  1  1     0  0
M  END
> <LM_ID>
LMST01031398

> <COMMON_NAME>
7beta-hydroxy-crinosterol

> <SYSTEMATIC_NAME>
Campesta-5,22E-dien-3beta.7beta-diol

> <FORMULA>
C28H46O2

> <MASS>
414.35

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
7beta-hydroxy-pincasterol

> <INCHI_KEY>
JVEARGBOXRHBPV-LWQOZJJOSA-N

> <INCHI>
InChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-26-24(12-14-28(22,23)6)27(5)13-11-21(29)15-20(27)16-25(26)30/h7-8,16-19,21-26,29-30H,9-15H2,1-6H3/b8-7+/t18-,19-,21+,22-,23+,24+,25+,26+,27+,28-/m1/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[C@@]4([H])[C@]3([H])[C@@H](O)C=C2C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 28:2;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
162946342

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
395614

> <CITATION>
-

$$$$