LMPK11000036
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0  0  0  0  0  0  0  0999 V2000
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   10.7456   -6.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4937   -5.6260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2198   -4.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8715   -5.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1215   -6.3057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8355   -7.8867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9025   -7.8744    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1811   -6.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2633   -6.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5926   -9.7629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5779   -7.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2262   -9.0787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5331   -9.5257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3858   -4.4786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3598   -5.1260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  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
  6  7  1  0     0  0
  1  8  1  6     0  0
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 10 11  1  0     0  0
 11 12  1  0     0  0
  2 12  1  0     0  0
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 19 20  2  0     0  0
 20 15  1  0     0  0
  4 21  1  0     0  0
 22 23  2  0     0  0
 23 24  1  0     0  0
 29 21  2  0     0  0
 25 29  1  0     0  0
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 25 26  1  0     0  0
  4 30  1  1     0  0
 28 31  1  0     0  0
 26 32  1  6     0  0
 24 33  1  1     0  0
 28 34  1  1     0  0
  6 35  1  1     0  0
  5 36  1  1     0  0
 24  3  1  0     0  0
M  END
> <LM_ID>
LMPK11000036

> <COMMON_NAME>
Cytochalasin R

> <SYSTEMATIC_NAME>


> <FORMULA>
C28H39NO5

> <MASS>
469.28

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Cytochalasins [PK11]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KPQRGEZMOJERCR-RWGJCPSUSA-N

> <INCHI>
InChI=1S/C28H39NO5/c1-17-9-8-12-20-24(31)27(4,34)18(2)23-21(15-19-10-6-5-7-11-19)29-25(32)28(20,23)22(30)13-14-26(3,33)16-17/h5-8,10-14,17-18,20-24,30-31,33-34H,9,15-16H2,1-4H3,(H,29,32)/b12-8+,14-13+/t17-,18-,20-,21-,22+,23-,24-,26-,27+,28+/m0/s1

> <SMILES>
[C@@H]1(C)[C@](O)(C)[C@@H](O)[C@]2([H])C=CC[C@H](C)C[C@](O)(C)C=C[C@H]([C@@]32C(=O)N[C@@H](CC2C=CC=CC=2)[C@]13[H])O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14286481

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
54899

> <CITATION>
-

$$$$