LMPK11000035
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0  0  0  0  0999 V2000
   10.7464   -2.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7464   -3.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6195   -3.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4924   -3.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4924   -2.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6195   -1.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6195   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5431   -1.9551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8734   -1.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8734   -2.6078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8362   -4.3616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9043   -4.3493    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742   -3.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4501   -5.1587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8774   -3.0277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0044   -3.5317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1314   -3.0277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2585   -3.5317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2585   -4.5396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1314   -5.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0044   -4.5396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3654   -3.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3654   -4.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4925   -5.1278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6195   -4.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1595   -3.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5568   -4.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0858   -5.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0990   -5.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1777   -3.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6130   -2.6040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5887   -6.2355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5715   -4.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4761   -5.4523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5305   -5.9986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  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  2  0     0  0
  6  7  1  0     0  0
  5  8  1  1     0  0
  1  9  1  0     0  0
  2 10  1  1     0  0
  3 11  1  6     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
  2 13  1  0     0  0
 11 14  2  0     0  0
 13 15  1  1     0  0
 15 16  1  0     0  0
 16 17  2  0     0  0
 17 18  1  0     0  0
 18 19  2  0     0  0
 19 20  1  0     0  0
 20 21  2  0     0  0
 21 16  1  0     0  0
  4 22  1  0     0  0
 23 24  2  0     0  0
 24 25  1  0     0  0
 25  3  1  0     0  0
 30 22  2  0     0  0
 26 30  1  0     0  0
 29 23  1  0     0  0
 28 29  1  0     0  0
 27 28  1  0     0  0
 26 27  1  0     0  0
  4 31  1  1     0  0
 29 32  1  1     0  0
 27 33  1  6     0  0
 25 34  1  1     0  0
 29 35  1  0     0  0
M  END
> <LM_ID>
LMPK11000035

> <COMMON_NAME>
Cytochalasin O

> <SYSTEMATIC_NAME>


> <FORMULA>
C28H37NO4

> <MASS>
451.27

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Cytochalasins [PK11]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UMHVFKLUODBPSC-USMISTALSA-N

> <INCHI>
InChI=1S/C28H37NO4/c1-17-9-8-12-21-25(31)19(3)18(2)24-22(15-20-10-6-5-7-11-20)29-26(32)28(21,24)23(30)13-14-27(4,33)16-17/h5-8,10-14,17,21-25,30-31,33H,9,15-16H2,1-4H3,(H,29,32)/b12-8+,14-13+/t17-,21-,22-,23+,24-,25+,27-,28+/m0/s1

> <SMILES>
C1(C)=C(C)[C@@H](O)[C@]2([H])C=CC[C@H](C)C[C@@](C)(O)C=C[C@@H](O)[C@@]32C(=O)N[C@@H](CC2C=CC=CC=2)[C@]13[H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13892287

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
54899

> <CITATION>
-

$$$$