LMPK11000005 LIPID_MAPS_STRUCTURE_DATABASE 36 41 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 13.1789 8.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3114 7.9512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4438 8.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9618 9.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3566 8.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8885 7.9855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9079 7.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9861 10.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4907 10.9256 0.0000 H 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 13.1789 7.4430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6377 6.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3650 8.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3013 7.6287 0.0000 O 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 22 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 3 1 0 0 0 30 22 1 0 0 0 26 30 1 0 0 0 29 23 1 0 0 0 28 29 2 0 0 0 27 28 1 0 0 0 26 27 1 0 0 0 30 8 1 0 0 0 30 31 1 1 0 0 4 32 1 1 0 0 23 33 1 1 0 0 29 34 1 0 0 0 27 35 1 6 0 0 25 36 1 6 0 0 M END > LMPK11000005 > Cytochalasin J3 > > C28H35NO3 > 433.26 > Polyketides [PK] > Cytochalasins [PK11] > > - > > WSPVFJOMQYINNH-ZTKWOVAKSA-N > InChI=1S/C28H35NO3/c1-14-10-15(2)19-13-22(30)28-24(20(29-27(28)31)12-18-8-6-5-7-9-18)16(3)17(4)26-25(28)23(19)21(11-14)32-26/h5-10,14,16,19-26,30H,4,11-13H2,1-3H3,(H,29,31)/t14-,16-,19+,20+,21-,22+,23?,24+,25+,26-,28-/m1/s1 > [C@@H]1(C)C(=C)[C@H]2O[C@]3([H])C[C@H](C)C=C(C)[C@]4([H])C[C@H](O)[C@]5(C(=O)N[C@@H](CC6C=CC=CC=6)[C@]15[H])[C@@]2([H])C43 > - > - > - > - > - > - > 171120005 > - > - > - > - > - > 1715245 > 28831797 $$$$