LMST01160095
  LIPID_MAPS_STRUCTURE_DATABASE

 41 46  0     0  0            999 V2000
    4.6737  -10.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6737  -11.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5620  -11.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4493  -11.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4493  -10.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5620   -9.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3380  -11.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2246  -11.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2246  -10.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3380   -9.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1099   -9.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1099   -8.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2246   -8.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3380   -8.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0805   -9.9496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6782   -9.1228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5620   -8.6127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4493   -9.1228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0805   -7.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3380  -10.4550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2668   -9.4639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0805   -8.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0926   -8.1933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1099  -10.3607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1099   -7.6113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4488  -12.2003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9247   -6.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8127   -5.8351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5174   -6.5398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0649   -7.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6667   -5.3249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5297   -4.8266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3930   -5.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5297   -3.8299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6510   -4.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3557   -5.5828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4802   -6.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9280   -6.2877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6788   -9.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5623  -12.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3380  -12.6875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 18  1  1  0  0  0
  6 17  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 10 20  1  6     0  0
  9 21  1  1     0  0
 12 22  1  0  0  0  0
 16 22  1  0  0  0  0
 22 19  1  0  0  0  0
 22 23  1  6     0  0
 11 24  1  6     0  0
 12 25  1  1     0  0
  4 26  1  1     0  0
 19 27  1  0     0  0
 27 28  1  1     0  0
 29 30  1  0     0  0
 29 28  1  1     0  0
 27 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 32 34  2  0     0  0
 33 29  1  0     0  0
 33 35  1  1     0  0
 33 36  1  6     0  0
 29 37  1  1     0  0
 19 30  1  0     0  0
 27 38  1  1     0  0
 16 39  1  6     0  0
  3 40  1  1     0  0
  7 41  1  6     0  0
M  END
> <LM_ID>
LMST01160095

> <COMMON_NAME>
Anomanolide D

> <SYSTEMATIC_NAME>


> <FORMULA>
C28H39O8Cl

> <MASS>
538.23

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Withanolides and derivatives [ST0116]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SHCLKNUPAXEEPB-XVCVBXNTSA-N

> <INCHI>
InChI=1S/C28H39ClO8/c1-23-11-16(17(12-23)37-22(33)26(23,4)34)27(35)21(32)10-15-13-9-18(29)28(36)20(31)6-5-19(30)25(28,3)14(13)7-8-24(15,27)2/h5-6,13-18,20-21,31-32,34-36H,7-12H2,1-4H3/t13-,14+,15+,16?,17-,18+,20+,21-,23-,24+,25+,26+,27-,28+/m1/s1

> <SMILES>
C1C(=O)[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@](O)(C5C[C@@]6(C)[C@](O)(C)C(=O)O[C@]5([H])C6)[C@H](O)C[C@@]4([H])[C@]3([H])C[C@H](Cl)[C@]2(O)[C@@H](O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44423065

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
180580

> <CITATION>
17417907

$$$$