LMST01031399
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0  0  0  0  0999 V2000
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    4.9226  -18.3412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9226  -19.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7719  -19.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6965  -19.9427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6211  -19.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6211  -18.3412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6965  -17.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6895  -14.9247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  8 28  1  1  0  0  0
  9 29  1  6  0  0  0
 14 30  1  6  0  0  0
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  7 35  1  6     0  0
M  END
> <LM_ID>
LMST01031399

> <COMMON_NAME>
7alpha-Hydroxy-crinosterol

> <SYSTEMATIC_NAME>
Campesta-5,22E-dien-3beta,7alpha-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>
7alpha-Hydroxy-pinasterol

> <INCHI_KEY>
JVEARGBOXRHBPV-OFCDJYHHSA-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>
162946343

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
395614

> <CITATION>
-

$$$$