LMPK11000029 LIPID_MAPS_STRUCTURE_DATABASE 37 42 0 0 0 999 V2000 10.7415 11.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7415 10.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6227 9.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5038 10.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5038 11.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6227 11.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6227 12.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 11.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 10.6190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8320 8.8488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8917 8.8611 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6595 9.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4424 8.0443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8551 10.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9740 9.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0929 10.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2119 9.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2119 8.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0929 8.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9740 8.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3849 9.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0372 8.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9528 8.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2411 10.5212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6302 7.9257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1780 9.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5438 7.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5271 7.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4046 7.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6681 8.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1615 9.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0318 6.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6749 8.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4867 7.5534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1978 7.1624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3713 11.6286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7416 12.1452 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 1 6 0 0 1 8 1 6 0 0 2 9 1 1 0 0 3 10 1 6 0 0 10 11 1 0 0 0 11 12 1 0 0 0 2 12 1 0 0 0 10 13 2 0 0 0 12 14 1 1 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 15 1 0 0 0 4 21 1 0 0 0 22 23 1 0 0 0 23 3 1 0 0 0 4 24 1 1 0 0 23 25 2 0 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 1 0 0 0 22 27 1 0 0 0 21 26 2 0 0 0 28 32 1 1 0 0 30 33 1 6 0 0 22 34 1 1 0 0 27 34 1 1 0 0 29 35 1 1 0 0 5 36 1 1 0 0 6 37 1 0 0 0 1 37 1 0 0 0 M END > LMPK11000029 > 18-deoxy-21-oxo-deacetyl-19,20-epoxycytochalasin N > > C28H35NO6 > 481.25 > Polyketides [PK] > Cytochalasins [PK11] > > - > > OTCGMUXCJDAGIF-IIDIGJSOSA-N > InChI=1S/C28H35NO6/c1-14-9-8-12-17-23(31)27(4)26(3,35-27)22-18(13-16-10-6-5-7-11-16)29-25(33)28(17,22)24(32)21-20(34-21)15(2)19(14)30/h5-8,10-12,14-15,17-23,30-31H,9,13H2,1-4H3,(H,29,33)/b12-8+/t14-,15+,17-,18-,19+,20+,21-,22+,23-,26+,27-,28-/m0/s1 > [C@@]12(O[C@@]1(C)[C@@H](O)[C@]1([H])C=CC[C@H](C)[C@@H](O)[C@@H](C)[C@H]3O[C@@H]3C(=O)[C@@]31C(=O)N[C@@H](CC1C=CC=CC=1)[C@]23[H])C > - > - > - > - > - > - > 178335767 > - > - > - > - > - > 42375 > 33325741 $$$$