LMST01080039
  LIPID_MAPS_STRUCTURE_DATABASE

 35 40  0     0  0            999 V2000
    8.4066    8.2693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4066    6.3363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0804    6.3363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9174    6.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9174    7.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0804    8.2693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2434    7.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0804    9.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9174    9.7190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7543    9.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7543    8.2693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4285    8.2693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4285    9.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5913    9.7190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7543    9.9847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2434    8.4627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9174    8.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0621    7.4565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7543    7.5195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2655    9.7190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5913   10.6856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0327   11.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8349   11.6778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2563   10.6755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3688   10.9937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9540   11.3845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5696    6.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.3364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2434    6.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5696    7.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    8.2693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0666   11.7022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0000   11.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4880   10.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4216   10.9504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 30  1  0  0  0  0
 30 27  1  0  0  0  0
 27  2  1  0  0  0  0
  2 29  1  0  0  0  0
 29  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 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 14  1  0  0  0  0
  1  7  1  0  0  0  0
 29  7  1  0  0  0  0
  6  7  1  0  0  0  0
  5 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  1  0  0  0
  7 16  1  1  0  0  0
  5 17  1  1  0  0  0
  6 18  1  6  0  0  0
 11 19  1  6  0  0  0
 13 20  1  1  0  0  0
 14 21  1  1  0  0  0
 21 22  1  6  0  0  0
 24 23  1  6  0  0  0
 24 25  1  0  0  0  0
 25 34  1  0  0  0  0
 32 26  1  0  0  0  0
 26 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 20  1  0  0  0  0
 27 28  1  1  0  0  0
 30 31  1  6  0  0  0
 32 34  1  0  0  0  0
 32 33  1  6  0  0  0
 34 35  1  1  0  0  0
M  END
> <LM_ID>
LMST01080039

> <COMMON_NAME>
Karatavegenin C

> <SYSTEMATIC_NAME>
(25R)-spirost-5-en-2alpha,3beta,24S-triol

> <FORMULA>
C27H42O5

> <MASS>
446.30

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Spirostanols and derivatives [ST0108]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AJYSEUOXJDRNAO-YUXULVBESA-N

> <INCHI>
InChI=1S/C27H42O5/c1-14-13-31-27(12-21(14)29)15(2)24-23(32-27)10-19-17-6-5-16-9-20(28)22(30)11-26(16,4)18(17)7-8-25(19,24)3/h5,14-15,17-24,28-30H,6-13H2,1-4H3/t14-,15-,17+,18-,19-,20+,21-,22+,23-,24-,25-,26-,27+/m0/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@H]5[C@@H]([C@]6(O[C@H]5C[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)[C@@H]1O)C[C@H](O)[C@@H](C)CO6)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:3;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52931445

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
70761

> <CITATION>
-

$$$$