LMPK11000011 LIPID_MAPS_STRUCTURE_DATABASE 38 42 0 0 0 999 V2000 10.5762 10.9565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5762 9.9548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4438 9.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3113 9.9548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3113 10.9565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4438 11.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4438 12.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3554 11.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7087 11.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7087 10.4556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6654 8.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7394 8.7248 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5107 9.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2817 7.9205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7189 10.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8513 9.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9838 10.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1163 9.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1163 8.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9838 8.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8513 8.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1789 9.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7688 8.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4373 10.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4513 7.8037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9597 9.7432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3354 7.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3035 7.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1674 7.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4269 8.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9281 9.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4183 8.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8196 8.3324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4340 6.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2381 10.5922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8127 8.9130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5607 8.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2168 10.7973 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 3 1 0 0 0 4 24 1 1 0 0 23 25 1 1 0 0 31 26 1 0 0 0 30 31 1 0 0 0 29 30 1 0 0 0 28 29 1 0 0 0 27 28 2 0 0 0 22 26 1 0 0 0 30 32 1 6 0 0 22 33 1 0 0 0 33 23 1 0 0 0 33 27 1 0 0 0 28 34 1 0 0 0 26 35 1 6 0 0 22 36 1 6 0 0 33 37 1 1 0 0 35 38 1 0 0 0 M END > LMPK11000011 > Cytochalasin H2 > > C29H39NO4 > 465.29 > Polyketides [PK] > Cytochalasins [PK11] > > - > > DUYYCMGEIIWSFW-LHQQDTEMSA-N > InChI=1S/C29H39NO4/c1-15-11-16(2)13-22(34-5)23-20(12-15)27(32)29-24(17(3)18(4)26(31)25(23)29)21(30-28(29)33)14-19-9-7-6-8-10-19/h6-10,12,16-17,20-27,31-32H,4,11,13-14H2,1-3,5H3,(H,30,33)/b15-12-/t16-,17-,20+,21+,22-,23-,24+,25+,26-,27-,29-/m1/s1 > CC1=C[C@H]2[C@H]([C@@H](C[C@H](C)C1)OC)[C@H]1[C@@H](C(=C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)N=C([C@@]13[C@@H]2O)O)O > - > - > - > - > - > - > 178335758 > - > - > - > - > - > 1715245 > 28831797 $$$$