LMST01080011
  LIPID_MAPS_STRUCTURE_DATABASE

 34 39  0  0  0  0  0  0  0  0999 V2000
    6.9342    6.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9342    5.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3140    5.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0039    5.6258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0039    6.4225    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3140    6.8208    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6240    6.4225    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3140    7.6175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0039    8.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6938    7.6175    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6938    6.8208    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0737    6.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0737    7.6175    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.3837    8.0159    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6938    8.2349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6240    6.9802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0039    7.0997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2988    6.1508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6938    6.2028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7636    8.0159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3837    8.8126    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9232    9.2731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2331    9.6304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7561    8.8043    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.6731    9.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5957    8.8247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1555    9.3886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2443    5.6258    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5544    5.2275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6240    5.6258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2443    6.4225    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5544    6.8208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0726    9.6505    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.8421    9.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 31  1  0  0  0  0
 31 28  1  0  0  0  0
 28  2  1  0  0  0  0
  2 30  1  0  0  0  0
 30  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
 30  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  1  0  0  0
 25 26  1  0  0  0  0
 33 27  1  0  0  0  0
 27 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 20  1  0  0  0  0
 28 29  1  1  0  0  0
 31 32  1  6  0  0  0
 33 26  1  1  0  0  0
 33 34  1  0  0  0  0
M  END
> <LM_ID>
LMST01080011

> <COMMON_NAME>
Yuccagenin

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

> <FORMULA>
C27H42O4

> <MASS>
430.31

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Spirostanols and derivatives [ST0108]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ORXKASWXOVPKDV-UBWBUNFISA-N

> <INCHI>
InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-23(31-27)12-20-18-6-5-17-11-21(28)22(29)13-26(17,4)19(18)8-9-25(20,24)3/h5,15-16,18-24,28-29H,6-14H2,1-4H3/t15-,16+,18-,19+,20+,21-,22-,23+,24+,25+,26+,27-/m1/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)CC[C@@H](C)CO6)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
178609

> <ABBREVIATION>
ST 27:3;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
3083608

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
215537

> <CITATION>
-

$$$$