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0 0 90 89 1 1 0 0 0 90 92 1 0 0 0 0 92 91 2 0 0 0 0 90 93 1 0 0 0 0 93 94 1 0 0 0 0 96 95 1 6 0 0 0 96 98 1 0 0 0 0 98 97 2 0 0 0 0 96 99 1 0 0 0 0 101100 1 1 0 0 0 101103 1 0 0 0 0 103102 2 0 0 0 0 101104 1 0 0 0 0 104105 1 0 0 0 0 105106 2 0 0 0 0 105107 1 0 0 0 0 108109 1 0 0 0 0 109111 1 1 0 0 0 111110 2 0 0 0 0 109112 1 0 0 0 0 113114 1 0 0 0 0 114112 1 0 0 0 0 113108 1 0 0 0 0 115116 1 0 0 0 0 116118 1 0 0 0 0 118117 2 0 0 0 0 116119 1 1 0 0 0 119121 1 0 0 0 0 120121 2 0 0 0 0 121123 1 0 0 0 0 122120 1 0 0 0 0 124122 1 0 0 0 0 123124 2 0 0 0 0 124125 1 0 0 0 0 125126 2 0 0 0 0 126127 1 0 0 0 0 127128 2 0 0 0 0 128123 1 0 0 0 0 129130 1 0 0 0 0 130132 1 1 0 0 0 132131 2 0 0 0 0 130133 1 0 0 0 0 134135 1 0 0 0 0 135133 1 0 0 0 0 134129 1 0 0 0 0 137136 1 6 0 0 0 137139 1 0 0 0 0 139138 2 0 0 0 0 137140 1 0 0 0 0 140141 1 0 0 0 0 140142 1 0 0 0 0 143144 1 0 0 0 0 144146 1 0 0 0 0 146145 2 0 0 0 0 144147 1 6 0 0 0 149148 1 1 0 0 0 149151 1 0 0 0 0 151150 2 0 0 0 0 149152 1 0 0 0 0 152153 1 1 0 0 0 152154 1 0 0 0 0 155156 1 0 0 0 0 156157 1 0 0 0 0 156158 2 0 0 0 0 159160 1 0 0 0 0 160162 1 0 0 0 0 162161 2 0 0 0 0 160163 1 1 0 0 0 163164 1 0 0 0 0 164165 1 0 0 0 0 165155 1 0 0 0 0 166167 1 0 0 0 0 167169 1 0 0 0 0 169168 2 0 0 0 0 167170 1 1 0 0 0 170171 1 0 0 0 0 171172 2 0 0 0 0 171173 1 0 0 0 0 174175 1 0 0 0 0 175177 1 0 0 0 0 177176 2 0 0 0 0 178179 1 0 0 0 0 179181 1 0 0 0 0 181180 2 0 0 0 0 179182 1 1 0 0 0 182183 1 0 0 0 0 183184 1 0 0 0 0 183185 1 0 0 0 0 186187 1 0 0 0 0 187189 1 6 0 0 0 189188 2 0 0 0 0 187190 1 0 0 0 0 191192 1 0 0 0 0 192190 1 0 0 0 0 191186 1 0 0 0 0 193194 1 0 0 0 0 194196 1 0 0 0 0 196195 2 0 0 0 0 194197 1 1 0 0 0 197198 1 0 0 0 0 197199 1 0 0 0 0 200201 1 0 0 0 0 201202 1 0 0 0 0 201203 1 6 0 0 0 1202 1 0 0 0 0 25205 1 0 0 0 0 99206 1 0 0 0 0 205206 1 0 0 0 0 203207 1 0 0 0 0 88208 1 0 0 0 0 207208 1 0 0 0 0 147209 1 0 0 0 0 57209 1 0 0 0 0 M END > CHEBI:67905 > Vaby E > A natural product found in Viola abyssinica. > 2 > C126H184N36O41S6 > 3051.41600 > 3049.17440 > 0 > CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]4CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]5CCCN5C1=O)C(C)C)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N4)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC3=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2)[C@@H](C)O)[C@@H](C)O > InChI=1S/C126H184N36O41S6/c1-56(2)37-72-122(200)160-34-19-28-84(160)115(193)154-95(57(3)4)117(195)149-76-50-204-205-51-77-108(186)147-75(49-163)107(185)148-78-52-206-207-53-79(152-121(199)99(61(9)166)156-105(183)68(30-31-93(175)176)138-89(171)46-136-103(76)181)109(187)142-69(38-63-21-12-11-13-22-63)101(179)134-44-88(170)133-45-92(174)153-97(59(7)164)119(197)151-80(110(188)144-71(41-87(128)169)106(184)158-100(62(10)167)125(203)162-36-17-26-82(162)113(191)137-48-91(173)140-77)54-208-209-55-81(112(190)157-98(60(8)165)120(198)141-67(25-16-32-131-126(129)130)104(182)143-70(40-86(127)168)102(180)135-47-90(172)139-72)150-118(196)96(58(5)6)155-116(194)85-29-20-35-161(85)123(201)73(39-64-43-132-66-24-15-14-23-65(64)66)146-114(192)83-27-18-33-159(83)124(202)74(42-94(177)178)145-111(78)189/h11-15,21-24,43,56-62,67-85,95-100,132,163-167H,16-20,25-42,44-55H2,1-10H3,(H2,127,168)(H2,128,169)(H,133,170)(H,134,179)(H,135,180)(H,136,181)(H,137,191)(H,138,171)(H,139,172)(H,140,173)(H,141,198)(H,142,187)(H,143,182)(H,144,188)(H,145,189)(H,146,192)(H,147,186)(H,148,185)(H,149,195)(H,150,196)(H,151,197)(H,152,199)(H,153,174)(H,154,193)(H,155,194)(H,156,183)(H,157,190)(H,158,184)(H,175,176)(H,177,178)(H4,129,130,131)/t59-,60-,61-,62-,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+,85+,95+,96+,97+,98+,99+,100+/m1/s1 > FEQIWRDQTOAOES-MIPHNLIASA-N > 21434649 $$$$