LMST01040153
  LIPID_MAPS_STRUCTURE_DATABASE

 41 45  0     0  0            999 V2000
    8.4450    9.0268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4450    7.0493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0139    7.5437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3014    8.5324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1576   10.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0139   10.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8105    8.7213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3918    9.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3014    9.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1576    9.0268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1576    8.0380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0139    8.5324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8702    9.0268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8702   10.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8702   11.0043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5232   11.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2358   11.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3019   10.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9542   11.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8105   10.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6668   10.8154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6554   13.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3014    7.5437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3014    6.5550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5889    8.5324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.0268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5889    7.5437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.0493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1576    7.0493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1576    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8702    8.0380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8105   11.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8105   12.2985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6668   11.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6668   12.7929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3793   12.7929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5661   12.9495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1250   12.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1138   12.0027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3793   11.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3793   10.8154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 13 14  1  0  0  0  0
 14 20  1  0  0  0  0
 14  6  1  0  0  0  0
 12 13  1  0  0  0  0
 13  7  1  0  0  0  0
 10  5  1  0  0  0  0
 10  4  1  0  0  0  0
 12 10  1  0  0  0  0
 12  3  2  0  0  0  0
  4 23  1  0  0  0  0
  4  9  1  1  0  0  0
  4  1  1  0  0  0  0
 20  8  1  0  0  0  0
  5  6  1  0  0  0  0
  8  7  1  0  0  0  0
 29  3  1  0  0  0  0
 23  2  1  0  0  0  0
 23 29  1  0  0  0  0
 25  1  1  0  0  0  0
 27  2  1  0  0  0  0
 27 25  1  0  0  0  0
 10 11  1  6  0  0  0
 13 31  1  6  0  0  0
 14 15  1  1  0  0  0
 16 34  1  0  0  0  0
 16 40  1  0  0  0  0
 32 34  1  0  0  0  0
 20 32  1  0  0  0  0
 17 40  1  0  0  0  0
 38 17  1  0  0  0  0
 17 18  1  1  0  0  0
 32 19  1  6  0  0  0
 40 36  1  0  0  0  0
 20 21  1  6  0  0  0
 36 22  1  1  0  0  0
 23 24  1  1  0  0  0
 25 26  1  1  0  0  0
 27 28  1  1  0  0  0
 29 30  2  0  0  0  0
 32 33  1  1  0  0  0
 34 35  1  6  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 40 41  1  1  0  0  0
M  END
> <LM_ID>
LMST01040153

> <COMMON_NAME>
cyasterone

> <SYSTEMATIC_NAME>
(22R,24S,25S,28R)-2beta,3beta,14,20,22-pentahydroxy-26,28-epoxy-5beta-stigmast-7-ene-6,26-dione

> <FORMULA>
C29H44O8

> <MASS>
520.30

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Stigmasterols and C24-ethyl derivatives [ST0104]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Cyasteron; Cyasterone

> <INCHI_KEY>
NEFYSBQJYCICOG-YSEUJXISSA-N

> <INCHI>
InChI=1S/C29H44O8/c1-14-16(15(2)37-25(14)34)10-24(33)28(5,35)23-7-9-29(36)18-11-20(30)19-12-21(31)22(32)13-26(19,3)17(18)6-8-27(23,29)4/h11,14-17,19,21-24,31-33,35-36H,6-10,12-13H2,1-5H3/t14-,15+,16-,17-,19-,21+,22-,23-,24+,26+,27+,28+,29+/m0/s1

> <SMILES>
C1[C@H](O)[C@H](O)C[C@@]2([H])C(=O)C=C3[C@@]([H])([C@]21C)CC[C@]1(C)[C@@]([H])([C@](O)(C)[C@H](O)C[C@]2([H])[C@H](OC(=O)[C@H]2C)C)CC[C@]13O

> <KEGG_ID>
C08816

> <HMDB_ID>
-

> <CHEBI_ID>
29012

> <ABBREVIATION>
ST 29:4;O8

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
119444

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2152776

> <CITATION>
-

$$$$