LMPK11000010
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0     0  0            999 V2000
   10.7069   11.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7069   10.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5852    9.5707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4635   10.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4635   11.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5852   11.5990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5852   12.6131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5205   11.2414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8287   11.5990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8287   10.5848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7972    8.8203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8598    8.8326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6283    9.6298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4088    8.0184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8267   10.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9483    9.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0701   10.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1919    9.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1919    8.6412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0701    8.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9483    8.6412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3418    9.5707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9951    8.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9143    8.7337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5787   10.5887    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5928    7.9002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1322    9.8636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5002    7.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4803    7.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3549    7.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6176    8.7264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1126    9.6010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9833    6.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6212    8.8587    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  1  0     0  0
  6  7  2  0     0  0
  5  8  1  1     0  0
  1  9  1  6     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  1  0     0  0
 24  3  1  0     0  0
  4 25  1  1     0  0
 24 26  1  1     0  0
 32 27  1  0     0  0
 31 32  1  0     0  0
 30 31  1  0     0  0
 29 30  2  0     0  0
 28 29  1  0     0  0
 23 28  2  0     0  0
 22 27  2  0     0  0
 29 33  1  0     0  0
 31 34  1  6     0  0
M  END
> <LM_ID>
LMPK11000010

> <COMMON_NAME>
Cytochalasin J2

> <SYSTEMATIC_NAME>


> <FORMULA>
C28H35NO3

> <MASS>
433.26

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Cytochalasins [PK11]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CZABEFNJKKLRKT-ZCTQIHNESA-N

> <INCHI>
InChI=1S/C28H35NO3/c1-17-9-8-12-22-26(31)20(4)19(3)25-23(16-21-10-6-5-7-11-21)29-27(32)28(22,25)24(30)14-13-18(2)15-17/h5-8,10-15,17,19,22-26,30-31H,4,9,16H2,1-3H3,(H,29,32)/b12-8+,14-13+,18-15-/t17-,19+,22-,23-,24+,25-,26+,28+/m0/s1

> <SMILES>
[C@@H]1(C)C(=C)[C@@H](O)[C@]2([H])C=CC[C@H](C)C=C(C)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>
139591401

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1715245

> <CITATION>
28831797

$$$$