LMPK04000047 LIPID_MAPS_STRUCTURE_DATABASE 54 58 0 0 0 999 V2000 14.4679 -0.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3293 0.1089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4679 -1.3831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6000 0.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7319 -0.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8638 0.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9956 -0.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1275 0.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2594 -0.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3912 0.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5231 -0.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6551 0.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7868 -0.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7925 -1.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7071 -1.9169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7106 -2.9174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2067 -3.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3386 -2.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4704 -3.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6023 -2.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7341 -3.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8660 -2.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9979 -3.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1297 -2.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2616 -3.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5753 -3.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4430 -2.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5718 -4.4206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3386 -1.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8660 -1.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2215 -1.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0695 -2.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2564 -0.5018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1394 -0.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5671 -1.4065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9204 0.1108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9330 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6551 1.1089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7354 0.6121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9991 0.6121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0606 -1.4363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9461 -2.9249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9054 -6.3940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3629 -7.6697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4921 -6.9711 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8625 -4.7095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8032 -5.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9700 -6.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1960 -6.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2607 -6.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0939 -5.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1585 -4.9977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6103 0.6078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2594 -1.3884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 26 1 0 0 0 0 18 17 1 1 0 0 0 19 18 1 0 0 0 0 20 19 2 0 0 0 0 21 20 1 0 0 0 0 22 21 2 0 0 0 0 23 22 1 0 0 0 0 24 23 2 0 0 0 0 25 24 1 0 0 0 0 26 27 1 0 0 0 0 27 25 2 0 0 0 0 26 28 1 1 0 0 0 18 29 1 0 0 0 0 29 3 1 0 0 0 0 22 30 1 0 0 0 0 31 32 1 0 0 0 0 31 33 2 0 0 0 0 33 34 1 0 0 0 0 15 35 1 1 0 0 0 13 36 1 1 0 0 0 14 37 1 6 0 0 0 12 38 1 6 0 0 0 4 39 1 6 0 0 0 5 39 1 6 0 0 0 6 40 1 6 0 0 0 7 40 1 6 0 0 0 37 41 1 0 0 0 0 37 42 2 0 0 0 0 51 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 6 0 0 0 47 28 1 1 0 0 0 48 43 1 6 0 0 0 49 44 1 6 0 0 0 50 45 1 1 0 0 0 29 31 1 6 0 0 0 11 35 1 0 0 0 0 11 53 1 0 0 0 0 9 54 1 6 0 0 0 M END > LMPK04000047 > Actinospene > > C38H55NO15 > 765.36 > Polyketides [PK] > Macrolides and lactone polyketides [PK04] > > - > > SDFYGRPVFFYRKF-UAGQYMCFSA-N > InChI=1S/C38H55NO15/c1-6-18(3)30-19(4)12-9-11-17(2)10-7-8-13-22(50-37-29(43)28(42)26(39)20(5)49-37)15-23-25(35(45)46)27(41)34(44)38(48,54-23)16-21(40)14-24-31(51-24)32-33(52-32)36(47)53-30/h6-13,19-34,37,40-44,48H,14-16,39H2,1-5H3,(H,45,46)/b10-7+,12-9+,13-8+,17-11+,18-6+/t19-,20-,21-,22+,23-,24+,25-,26-,27+,28+,29+,30+,31-,32+,33-,34-,37-,38?/m0/s1 > C1([C@H]2O[C@@H]2[C@H]2O[C@@H]2C[C@H](O)CC2(O)O[C@@H](C[C@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](N)[C@H](C)O3)C=CC=CC(C)=CC=C[C@@H]([C@@H](/C(=C/C)/C)O1)C)[C@H](C(=O)O)[C@@H](O)[C@@H]2O)=O > - > - > - > - > - > - > 171119180 > - > - > - > - > - > 909613 > 34834113 $$$$