LMPK11000030 LIPID_MAPS_STRUCTURE_DATABASE 37 41 0 0 0 999 V2000 10.7235 11.1091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7235 10.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6032 9.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4828 10.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4828 11.1091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6032 11.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6032 12.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5414 11.2588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8440 11.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8440 10.6012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8139 8.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8751 8.8462 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6432 9.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4249 8.0308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8402 10.1781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9606 9.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0810 10.1781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2014 9.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2014 8.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0810 8.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9606 8.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3624 9.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0152 8.4421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9327 8.7472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2188 10.5036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6107 7.9123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1541 9.8790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5210 7.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5026 7.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3786 7.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6417 8.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1360 9.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0065 6.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6469 8.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9125 6.4281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4658 7.5406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1705 7.1503 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 2 0 0 0 6 7 1 0 0 0 5 8 1 1 0 0 1 9 1 0 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 1 0 0 0 22 27 2 0 0 0 29 33 1 0 0 0 31 34 1 6 0 0 29 35 1 6 0 0 23 36 1 1 0 0 28 36 1 1 0 0 30 37 2 0 0 0 M END > LMPK11000030 > deacetyl-19,20-epoxycytochalasin C > > C28H35NO6 > 481.25 > Polyketides [PK] > Cytochalasins [PK11] > > - > > PJQNNAWRTWTXKU-GCRHBUKQSA-N > InChI=1S/C28H35NO6/c1-14-9-8-12-18-21(30)16(3)15(2)20-19(13-17-10-6-5-7-11-17)29-26(33)28(18,20)24(32)22-25(35-22)27(4,34)23(14)31/h5-8,10-12,14,18-22,24-25,30,32,34H,9,13H2,1-4H3,(H,29,33)/b12-8+/t14-,18-,19-,20-,21+,22+,24+,25-,27-,28-/m0/s1 > C1(C)=C(C)[C@@H](O)[C@]2([H])C=CC[C@H](C)C(=O)[C@@](O)(C)[C@H]3O[C@@H]3[C@@H](O)[C@@]32C(=O)N[C@@H](CC2C=CC=CC=2)[C@]13[H] > - > - > - > - > - > - > 102068107 > - > - > - > - > - > 1756133 > 33325741 $$$$