LMST01010488
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0     0  0            999 V2000
    4.9191   -4.7173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7929   -5.2219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7929   -6.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9191   -6.7354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0453   -6.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0453   -5.2219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6668   -4.7173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5406   -5.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5406   -6.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6668   -6.7354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6667   -3.7082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5405   -3.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4145   -3.7082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4145   -4.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2884   -3.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1623   -3.7081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1624   -4.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2884   -2.1945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1148   -1.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4144   -1.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1375   -1.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8496   -2.9284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7929   -4.2128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4145   -2.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1714   -4.7173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1714   -6.7354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4132   -5.6100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6797   -5.4702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7929   -6.9372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6668   -7.7445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9634   -2.1572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1596   -0.6098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8567   -1.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7002   -2.2314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5881   -1.7701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6325   -0.7705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6557   -3.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9190   -3.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  1  1  0     0  0
  2  7  1  0     0  0
  7  8  1  0     0  0
  8  9  2  0     0  0
  9 10  1  0     0  0
 10  3  1  0     0  0
  7 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14  8  1  0     0  0
 13 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 14 17  1  0     0  0
 15 18  1  0     0  0
 18 19  1  0     0  0
 18 20  1  1     0  0
 18 21  1  6     0  0
 15 22  1  6     0  0
  2 23  1  1     0  0
 13 24  1  1     0  0
  6 25  1  1     0  0
  5 26  1  1     0  0
 14 27  1  6     0  0
  7 28  1  6     0  0
  3 29  1  1     0  0
 10 30  2  0     0  0
 19 31  1  0     0  0
 19 32  1  6     0  0
 33 31  1  0     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
 35 36  1  0     0  0
 34 37  1  6     0  0
 31 38  1  1     0  0
M  END
> <LM_ID>
LMST01010488

> <COMMON_NAME>
Cyathsterone D

> <SYSTEMATIC_NAME>
(20R,22R,23R,25R)-2beta,3beta,14alpha,20,22-26-hexahydroxy-6-oxo-23-methyl-cholest-7-ene

> <FORMULA>
C28H46O7

> <MASS>
494.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(22R,23R,25R)-22,26-dihydroxy-23,25-dimethylcyasterone

> <INCHI_KEY>
PAIGRUWLMNEDEK-OYBGPUMJSA-N

> <INCHI>
InChI=1S/C28H46O7/c1-15(14-29)10-16(2)24(33)27(5,34)23-7-9-28(35)18-11-20(30)19-12-21(31)22(32)13-25(19,3)17(18)6-8-26(23,28)4/h11,15-17,19,21-24,29,31-35H,6-10,12-14H2,1-5H3/t15-,16-,17+,19+,21-,22+,23+,24-,25-,26-,27-,28-/m1/s1

> <SMILES>
C1[C@H](O)[C@H](O)C[C@@]2([H])C(=O)C=C3[C@]4(O)CC[C@]([H])([C@@](C)(O)[C@H](O)[C@H](C)C[C@@H](C)CO)[C@@]4(C)CC[C@]3([H])[C@@]12C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 28:2;O7

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171119987

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
384660

> <CITATION>
-

$$$$