LMPK11000006 LIPID_MAPS_STRUCTURE_DATABASE 37 40 0 0 0 999 V2000 10.6346 11.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6346 10.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5069 9.5060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3792 10.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3792 11.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5069 11.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5069 12.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4291 11.1655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7623 11.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7623 10.5133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7243 8.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7931 8.7730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5632 9.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3385 7.9642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7670 10.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8946 9.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0223 10.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1500 9.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1500 8.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0223 8.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8946 8.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2516 9.5060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2516 8.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3793 7.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5069 8.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0444 9.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4414 8.9193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9707 8.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9847 7.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0633 10.1071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5005 10.5172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7129 6.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4553 8.8781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3637 7.6709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4112 7.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2382 6.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6318 7.9705 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 2 0 0 0 24 25 1 0 0 0 25 3 1 0 0 0 30 22 2 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 4 31 1 1 0 0 29 32 1 0 0 0 27 33 1 6 0 0 25 34 1 6 0 0 34 35 1 0 0 0 35 36 2 0 0 0 35 37 1 0 0 0 M END > LMPK11000006 > Longichalasin B > > C30H37NO4 > 475.27 > Polyketides [PK] > Cytochalasins [PK11] > > - > > GGQJVEJLGIJFPD-AONOITRRSA-N > InChI=1S/C30H37NO4/c1-18-10-9-13-24-28(33)21(4)20(3)27-25(17-23-11-7-6-8-12-23)31-29(34)30(24,27)26(35-22(5)32)15-14-19(2)16-18/h6-9,11-16,18,20,24-28,33H,4,10,17H2,1-3,5H3,(H,31,34)/b13-9+,15-14+,19-16-/t18-,20+,24-,25-,26-,27-,28+,30+/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\1)/C)OC(=O)C)O)O > - > - > - > - > - > - > 178335757 > - > - > - > - > - > 54899 > 32717916 $$$$