LMST01160087
  LIPID_MAPS_STRUCTURE_DATABASE

 39 43  0     0  0            999 V2000
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  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
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  9 33  1  1     0  0
 12 34  1  0  0  0  0
 16 34  1  0  0  0  0
 34 20  1  0  0  0  0
  4 35  1  1     0  0
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  7 39  1  6     0  0
M  END
> <LM_ID>
LMST01160087

> <COMMON_NAME>
Tubocapsanolide D

> <SYSTEMATIC_NAME>
4beta,5beta,6alpha,17alpha-tetrahydroxy-1-oxo-witha-2,24-dienolide

> <FORMULA>
C28H40O7

> <MASS>
488.28

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Withanolides and derivatives [ST0116]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RGWWJKQOLUSAOK-LZXUJXKGSA-N

> <INCHI>
InChI=1S/C28H40O7/c1-14-12-20(35-24(32)15(14)2)16(3)27(33)11-9-18-17-13-23(31)28(34)22(30)7-6-21(29)26(28,5)19(17)8-10-25(18,27)4/h6-7,16-20,22-23,30-31,33-34H,8-13H2,1-5H3/t16-,17+,18+,19+,20-,22+,23+,25+,26+,27+,28-/m1/s1

> <SMILES>
C1C(=O)[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@](O)([C@@H]([C@]5([H])OC(=O)C(C)=C(C)C5)C)CC[C@@]4([H])[C@]3([H])C[C@H](O)[C@]2(O)[C@@H](O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 28:5;O7

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16680446

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
180580

> <CITATION>
17417907

$$$$