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65198 1 6 0 0 0 67199 1 6 0 0 0 68200 1 6 0 0 0 69201 1 1 0 0 0 70202 1 6 0 0 0 71203 1 6 0 0 0 72204 1 1 0 0 0 73205 1 6 0 0 0 74206 1 1 0 0 0 75207 1 6 0 0 0 76208 1 6 0 0 0 77209 1 1 0 0 0 78210 1 1 0 0 0 79211 1 1 0 0 0 80212 1 1 0 0 0 81213 1 1 0 0 0 82214 1 6 0 0 0 83215 1 1 0 0 0 84216 1 1 0 0 0 85217 1 6 0 0 0 86218 1 6 0 0 0 87219 1 6 0 0 0 88220 1 1 0 0 0 89221 1 1 0 0 0 90222 1 6 0 0 0 91223 1 6 0 0 0 92224 1 1 0 0 0 93225 1 1 0 0 0 94226 1 6 0 0 0 95227 1 6 0 0 0 96228 1 6 0 0 0 97229 1 1 0 0 0 98230 1 6 0 0 0 99231 1 6 0 0 0 100232 1 1 0 0 0 101233 1 6 0 0 0 102234 1 1 0 0 0 104235 1 1 0 0 0 105236 1 1 0 0 0 106237 1 6 0 0 0 107238 1 6 0 0 0 239108 1 0 0 0 0 109240 1 6 0 0 0 110241 1 1 0 0 0 111242 1 6 0 0 0 112243 1 6 0 0 0 113244 1 6 0 0 0 114245 1 1 0 0 0 115246 1 1 0 0 0 116247 1 1 0 0 0 117248 1 1 0 0 0 118249 1 6 0 0 0 119250 1 6 0 0 0 120251 1 6 0 0 0 121252 1 1 0 0 0 122253 1 6 0 0 0 123254 1 1 0 0 0 M END > CHEM003354 > chemdb > [H]\C(C[C@@]([H])(O)[C@]([H])(O)[C@]([H])(O)C\C([H])=C(\[H])C(=C)CC[C@]([H])(O)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(C)C[C@@]1([H])O[C@]([H])(C(\[H])=C(\[H])[C@@]([H])(O)[C@]([H])(O)C[C@]2([H])C[C@]3([H])C[C@]([H])(O2)[C@@]([H])(CC[C@@]2([H])O[C@]([H])(CN)C[C@@]2([H])O)O3)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O)=C(\[H])/C(/[H])=C(/[H])[C@@]([H])(O)C[C@]1([H])O[C@]([H])(C[C@@]([H])(O)[C@]([H])(O)C[C@@]2([H])O[C@@]([H])(C[C@@]([H])(O)[C@]2([H])O)[C@]([H])(O)[C@]([H])(O)CC[C@]([H])(O)C(\[H])=C(/[H])[C@]([H])(C)[C@@]([H])(O)C[C@]2(O)O[C@@]([H])(C[C@@]([H])(O)[C@@]2([H])O)C([H])(O)[C@@]([H])(O)CCCCCCC[C@@]23C[C@@]([H])(C)C[C@@](C)(O2)[C@@]([H])(CCCCCCC[C@@]([H])(O)C[C@]([H])(O)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O[C@]([H])(C[C@]([H])(O)[C@]([H])(O)C(\C)=C(/[H])[C@]([H])(O)CC[C@]([H])(O)C(O)=N\C([H])=C(/[H])C(O)=NCCCO)[C@]([H])(O)[C@@]([H])(O)[C@]2([H])O)O3)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O > InChI=1S/C127H219N3O53/c1-63(29-34-80(141)110(159)105(154)67(5)47-95-113(162)117(166)112(161)93(177-95)38-37-75(136)82(143)51-72-50-73-53-94(175-72)92(174-73)40-39-91-85(146)52-74(62-128)176-91)22-20-27-77(138)106(155)76(137)25-17-13-15-24-70(134)49-96-114(163)118(167)115(164)99(178-96)55-84(145)83(144)54-97-109(158)88(149)57-98(179-97)107(156)79(140)35-32-68(132)31-30-65(3)90(151)61-127(173)123(171)89(150)58-101(181-127)108(157)78(139)26-16-10-8-12-19-42-126-60-64(2)59-125(6,183-126)102(182-126)28-18-11-7-9-14-23-69(133)48-86(147)111(160)120(169)122-121(170)119(168)116(165)100(180-122)56-87(148)104(153)66(4)46-71(135)33-36-81(142)124(172)130-44-41-103(152)129-43-21-45-131/h13,15,17,20,22,24,30-31,37-38,41,44,46,64-65,67-102,104-123,131-151,153-171,173H,1,7-12,14,16,18-19,21,23,25-29,32-36,39-40,42-43,45,47-62,128H2,2-6H3,(H,129,152)(H,130,172)/b17-13+,22-20-,24-15-,31-30+,38-37-,44-41+,66-46+/t64-,65-,67+,68+,69+,70+,71+,72-,73+,74-,75+,76+,77+,78-,79+,80-,81-,82+,83+,84+,85+,86-,87-,88+,89+,90-,91+,92+,93+,94-,95+,96-,97+,98-,99+,100+,101-,102+,104+,105+,106-,107+,108?,109-,110+,111+,112+,113-,114-,115+,116-,117-,118+,119+,120-,121-,122+,123+,125+,126-,127-/m0/s1 > QJZSVGZHSZCZHY-YNRYLGGCSA-N > C127H219N3O53 > 2636.0861 > 2634.453378989 > 56 > 402 > 283.8934850801231 > 0 > 44 > 0 > 0 > (2S,5R,6E,8R,9S)-10-[(2R,3R,4R,5S,6R)-6-[(1S,2R,3S,5R)-12-[(1R,3S,5S,7R)-5-[(8S)-9-[(2S,4R,5R,6S)-6-[(2S,3S,4E,6S,9R,10R)-10-[(2S,4R,5S,6R)-6-[(2R,3R)-4-[(2R,3S,4R,5R,6S)-6-[(2S,3Z,5E,8R,9S,10R,12Z,17S,18R,19R,20R)-20-{[(2R,3R,4R,5S,6R)-6-[(1Z,3R,4R)-5-[(1S,3R,5R,7R)-7-{2-[(2R,3R,5S)-5-(aminomethyl)-3-hydroxyoxolan-2-yl]ethyl}-2,6-dioxabicyclo[3.2.1]octan-3-yl]-3,4-dihydroxypent-1-en-1-yl]-3,4,5-trihydroxyoxan-2-yl]methyl}-2,8,9,10,17,18,19-heptahydroxy-14-methylidenehenicosa-3,5,12-trien-1-yl]-3,4,5-trihydroxyoxan-2-yl]-2,3-dihydroxybutyl]-4,5-dihydroxyoxan-2-yl]-2,6,9,10-tetrahydroxy-3-methyldec-4-en-1-yl]-4,5,6-trihydroxyoxan-2-yl]-8,9-dihydroxynonyl]-1,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-7-yl]-1,2,3,5-tetrahydroxydodecyl]-3,4,5-trihydroxyoxan-2-yl]-2,5,8,9-tetrahydroxy-N-[(1E)-2-[(3-hydroxypropyl)-C-hydroxycarbonimidoyl]eth-1-en-1-yl]-7-methyldec-6-enimidic acid > -0.17 > -13.180046234672776 > -3.99 > 1 > 10 > 2 > 6.387660495125913 > 0.3044734551725705 > 9.220675149922714 > 1012.9300000000006 > 658.6285000000016 > 80 > 0 > 2.67e-01 g/l > (2S,5R,6E,8R,9S)-10-[(2R,3R,4R,5S,6R)-6-[(1S,2R,3S,5R)-12-[(1R,3S,5S,7R)-5-[(8S)-9-[(2S,4R,5R,6S)-6-[(2S,3S,4E,6S,9R,10R)-10-[(2S,4R,5S,6R)-6-[(2R,3R)-4-[(2R,3S,4R,5R,6S)-6-[(2S,3Z,5E,8R,9S,10R,12Z,17S,18R,19R,20R)-20-{[(2R,3R,4R,5S,6R)-6-[(1Z,3R,4R)-5-[(1S,3R,5R,7R)-7-{2-[(2R,3R,5S)-5-(aminomethyl)-3-hydroxyoxolan-2-yl]ethyl}-2,6-dioxabicyclo[3.2.1]octan-3-yl]-3,4-dihydroxypent-1-en-1-yl]-3,4,5-trihydroxyoxan-2-yl]methyl}-2,8,9,10,17,18,19-heptahydroxy-14-methylidenehenicosa-3,5,12-trien-1-yl]-3,4,5-trihydroxyoxan-2-yl]-2,3-dihydroxybutyl]-4,5-dihydroxyoxan-2-yl]-2,6,9,10-tetrahydroxy-3-methyldec-4-en-1-yl]-4,5,6-trihydroxyoxan-2-yl]-8,9-dihydroxynonyl]-1,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-7-yl]-1,2,3,5-tetrahydroxydodecyl]-3,4,5-trihydroxyoxan-2-yl]-2,5,8,9-tetrahydroxy-N-[(1E)-2-[(3-hydroxypropyl)-C-hydroxycarbonimidoyl]eth-1-en-1-yl]-7-methyldec-6-enimidic acid > 0 > T3D4394 > Ostreocin D > Organic Compound; Amine; Ether; Food Toxin; Marine Toxin; Animal Toxin; Natural Compound; PFAS $$$$