LMPK11000008 LIPID_MAPS_STRUCTURE_DATABASE 36 39 0 0 0 999 V2000 10.7039 11.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7039 10.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5820 9.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4599 10.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4599 11.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5820 11.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5820 12.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5167 11.2383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8259 11.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8259 10.5818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 8.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8570 8.8301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6255 9.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4058 8.0161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8242 10.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9461 9.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0681 10.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1901 9.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1901 8.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0681 8.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9461 8.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3380 9.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9914 8.4267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9109 8.7313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5754 10.5857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5896 7.8979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1282 9.8608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4964 7.5018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4762 7.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3505 7.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6132 8.7240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1083 9.5983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1781 6.2864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9791 6.4880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6165 8.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1906 6.0652 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 1 0 0 0 28 29 1 0 0 0 23 28 2 0 0 0 22 27 2 0 0 0 29 33 1 1 0 0 29 34 1 0 0 0 31 35 1 6 0 0 33 36 1 0 0 0 M END > LMPK11000008 > Cytochalasin J1 > > C29H39NO4 > 465.29 > Polyketides [PK] > Cytochalasins [PK11] > > - > > LIZLHKYMYYPMJW-DMFFLRLSSA-N > InChI=1S/C29H39NO4/c1-18-10-9-13-22-26(32)20(3)19(2)25-23(16-21-11-7-6-8-12-21)30-27(33)29(22,25)24(31)14-15-28(4,17-18)34-5/h6-9,11-15,18-19,22-26,31-32H,3,10,16-17H2,1-2,4-5H3,(H,30,33)/b13-9+,15-14+/t18-,19+,22-,23-,24+,25-,26+,28-,29+/m0/s1 > C[C@H]1C/C=C/[C@H]2[C@@H](C(=C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)N=C([C@@]23[C@@H](/C=C/[C@@](C)(C1)OC)O)O)O > - > - > - > - > - > - > 171120004 > - > - > - > - > - > 1715245 > 28831797 $$$$