Mrv0541 05061305142D 58 64 0 0 0 0 999 V2000 7.4190 -3.9989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0065 -7.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2506 -0.6944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6694 -1.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4084 -0.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8272 -2.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2940 -4.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4822 0.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5685 0.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2440 -6.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6565 -6.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1190 -5.4278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5315 -6.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4107 0.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9664 -6.8097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1721 -5.5804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7510 -6.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5047 -6.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6570 0.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1497 1.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4190 -5.4278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2483 -2.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1815 -4.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1190 -3.9989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0065 -4.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4190 -6.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4969 -0.3588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9157 -1.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3221 -0.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9134 -3.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4815 -6.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5315 -4.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3345 -2.9696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0859 -4.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0065 -6.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3565 -6.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2460 -3.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8295 -0.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6671 -3.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3322 -4.4244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4690 -3.9989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2940 -3.9989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7510 -5.7298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9896 0.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7690 -5.4278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0882 -3.3052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7690 -6.8568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4923 -3.2684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0565 -4.7134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0565 -3.2844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2940 -3.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9033 1.1328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7533 -4.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9664 -5.4749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3565 -4.7134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1815 -6.1423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6648 -4.9093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0758 -0.5082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9 8 1 0 0 0 0 11 10 2 0 0 0 0 13 12 1 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 19 14 1 0 0 0 0 20 8 1 0 0 0 0 25 1 1 0 0 0 0 25 21 1 0 0 0 0 25 23 2 0 0 0 0 26 2 1 0 0 0 0 26 10 1 0 0 0 0 27 3 1 0 0 0 0 27 14 1 0 0 0 0 28 4 1 0 0 0 0 28 22 1 0 0 0 0 29 5 1 0 0 0 0 29 9 1 0 0 0 0 30 6 2 0 0 0 0 31 11 1 0 0 0 0 31 15 1 0 0 0 0 32 12 1 0 0 0 0 32 24 1 0 0 0 0 33 22 1 0 0 0 0 34 16 1 0 0 0 0 35 21 1 0 0 0 0 35 26 1 0 0 0 0 36 13 1 0 0 0 0 37 30 1 0 0 0 0 38 27 1 0 0 0 0 38 28 1 0 0 0 0 39 30 1 0 0 0 0 39 33 1 0 0 0 0 40 34 1 0 0 0 0 40 37 1 0 0 0 0 42 7 1 0 0 0 0 42 24 1 0 0 0 0 42 41 1 0 0 0 0 43 17 1 0 0 0 0 43 18 1 0 0 0 0 44 19 1 0 0 0 0 44 29 1 0 0 0 0 45 23 1 0 0 0 0 45 36 1 0 0 0 0 46 33 1 0 0 0 0 47 36 1 0 0 0 0 48 37 1 0 0 0 0 49 41 2 0 0 0 0 50 41 1 0 0 0 0 51 42 1 0 0 0 0 52 20 1 0 0 0 0 52 44 1 0 0 0 0 53 34 1 0 0 0 0 53 39 1 0 0 0 0 54 31 1 0 0 0 0 54 43 1 0 0 0 0 55 32 1 0 0 0 0 55 45 1 0 0 0 0 56 35 1 0 0 0 0 56 45 1 0 0 0 0 57 40 1 0 0 0 0 57 43 1 0 0 0 0 58 38 1 0 0 0 0 58 44 1 0 0 0 0 M END > T3D4030 > t3db > CC(CC(O)C1OC2CCC3(CCC(O3)\C=C\C(C)C3CC(C)=CC4(OC(CC(C)(O)C(O)=O)CCC4O)O3)OC2C(O)C1=C)C1OC2(CCC1C)OCCCC2C > InChI=1S/C45H70O13/c1-25-21-35(56-45(23-25)36(47)13-12-32(55-45)24-42(7,51)41(49)50)26(2)10-11-31-15-17-43(54-31)18-16-34-40(57-43)37(48)30(6)39(53-34)33(46)22-28(4)38-27(3)14-19-44(58-38)29(5)9-8-20-52-44/h10-11,23,26-29,31-40,46-48,51H,6,8-9,12-22,24H2,1-5,7H3,(H,49,50)/b11-10+ > CLBIEZBAENPDFY-ZHACJKMWSA-N > C45H70O13 > 819.0295 > 818.481642326 > 13 > 90.26797805247213 > 0 > 5 > 0 > 0 > 3-{8-[(3E)-4-[6'-(3-{3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl}-1-hydroxybutyl)-8'-hydroxy-7'-methylidene-hexahydro-3'H-spiro[oxolane-2,2'-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl]-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl}-2-hydroxy-2-methylpropanoic acid > 3.03 > 5.6140697186666655 > -5.34 > 1 > 7 > -1 > 12.93048261345201 > 3.7619459573572773 > -3.1858918792445046 > 182.82999999999996 > 215.197 > 10 > 0 > 3.76e-03 g/l > 3-{8-[(3E)-4-[6'-(3-{3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl}-1-hydroxybutyl)-8'-hydroxy-7'-methylidene-hexahydrospiro[oxolane-2,2'-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl]-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl}-2-hydroxy-2-methylpropanoic acid > 0 > T3D4030 > Dinophysistoxin 1 > 81720-10-7 > 35-Methyl-Okadaic acid; 35-Methylokadaic acid; 9,10-Deepithio-9,10-didehydro-35-methyl-Acanthifolicin; Dinophysistoxin-1; DTX1 > Organic Compound; Ether; Food Toxin; Marine Toxin; Metabolite; Animal Toxin; Natural Compound $$$$