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28.4606 -2.4510 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3100 2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4606 -2.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8100 3.0490 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 26.9606 -1.5849 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1042 3.6830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8985 5.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7645 8.6830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7741 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6305 -1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8985 8.1830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.8985 7.1830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.6305 10.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8363 -8.3170 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.6305 8.1830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.6305 10.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1305 11.0490 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2382 -6.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 4.7811 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1305 9.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1305 9.3170 0.0000 C 0 0 2 0 0 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0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7645 10.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3004 -9.3170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.6305 11.9151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3722 5.6830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3004 -11.0490 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3004 -11.0490 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3004 -9.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8004 -10.1830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1042 5.6830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3722 2.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 5.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9606 -3.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4344 4.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8100 4.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9606 0.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3722 6.6830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0420 -4.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3004 -5.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8004 -11.9151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5683 -3.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1305 12.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1305 9.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1042 6.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1664 -8.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8004 -11.9151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5062 2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4344 5.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2382 7.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3100 5.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4606 1.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1305 9.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3004 -12.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8004 -11.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5062 8.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3004 -12.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6401 8.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 109 1 1 1 0 0 0 115 1 1 1 0 0 0 110 2 1 6 0 0 0 123 2 1 1 0 0 0 112 3 1 6 0 0 0 127 3 1 6 0 0 0 4118 1 0 0 0 0 4120 1 0 0 0 0 5116 1 0 0 0 0 5124 1 0 0 0 0 111 6 1 1 0 0 0 133 6 1 1 0 0 0 7115 1 0 0 0 0 7131 1 0 0 0 0 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0 228237 1 0 0 0 0 231238 1 0 0 0 0 239241 1 0 0 0 0 240242 1 0 0 0 0 M END > CHEBI:146651 > CID 91845708 > 2 > WURCS=2.0/6,17,16/[h2122h_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4-2-5-6-2-5-6-4-2-5-6-2-5-6/a4-b1_b4-c1_c3-d1_c6-k1_d2-e1_d6-h1_e4-f1_f3-g2_h4-i1_i3-j2_k2-l1_k4-o1_l4-m1_m6-n2_o4-p1_p3-q2 > C134H220N10O98 > 3539.206 > 3537.25388 > 0 > O([C@H]1[C@H](O)[C@H](O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)O[C@@H]([C@H](O)[C@@H](NC(=O)C)CO)[C@H](O)CO)[C@H]1O)CO[C@H]3O[C@@H]([C@@H](O[C@@H]4O[C@@H]([C@@H](O[C@@H]5O[C@@H]([C@H](O)[C@H](O[C@]6(O[C@H]([C@H](NC(=O)C)[C@@H](O)C6)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]5O)CO)[C@H](O)[C@H]4NC(=O)C)CO)[C@H](O)[C@@H]3O[C@@H]7O[C@@H]([C@@H](O[C@@H]8O[C@@H]([C@H](O)[C@H](O)[C@H]8O)CO[C@]9(O[C@H]([C@H](NC(=O)C)[C@@H](O)C9)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]7NC(=O)C)CO)CO)[C@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@@H]%10O[C@@H]%11O[C@@H]([C@@H](O[C@@H]%12O[C@@H]([C@H](O)[C@H](O[C@]%13(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%13)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]%12O)CO)[C@H](O)[C@H]%11NC(=O)C)CO)CO[C@@H]%14O[C@@H]([C@@H](O[C@@H]%15O[C@@H]([C@H](O)[C@H](O[C@]%16(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%16)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]%15O)CO)[C@H](O)[C@H]%14NC(=O)C)CO > InChI=1S/C134H220N10O98/c1-33(160)135-43(15-145)74(179)98(52(178)20-150)226-116-70(141-39(7)166)86(191)101(58(26-156)218-116)229-121-94(199)109(233-126-113(234-118-72(143-41(9)168)89(194)103(60(28-158)220-118)232-124-97(202)112(83(188)55(23-153)216-124)242-134(130(209)210)14-47(173)68(139-37(5)164)108(239-134)78(183)51(177)19-149)91(196)80(185)62(225-126)30-211-115-69(140-38(6)165)85(190)99(56(24-154)217-115)230-122-95(200)110(81(186)53(21-151)214-122)240-132(128(205)206)12-45(171)66(137-35(3)162)106(237-132)76(181)49(175)17-147)84(189)63(223-121)31-212-125-114(235-119-73(144-42(10)169)88(193)100(57(25-155)221-119)228-120-92(197)90(195)79(184)64(224-120)32-213-131(127(203)204)11-44(170)65(136-34(2)161)105(236-131)75(180)48(174)16-146)93(198)104(61(29-159)222-125)227-117-71(142-40(8)167)87(192)102(59(27-157)219-117)231-123-96(201)111(82(187)54(22-152)215-123)241-133(129(207)208)13-46(172)67(138-36(4)163)107(238-133)77(182)50(176)18-148/h43-126,145-159,170-202H,11-32H2,1-10H3,(H,135,160)(H,136,161)(H,137,162)(H,138,163)(H,139,164)(H,140,165)(H,141,166)(H,142,167)(H,143,168)(H,144,169)(H,203,204)(H,205,206)(H,207,208)(H,209,210)/t43-,44-,45-,46-,47-,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,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+,103+,104+,105+,106+,107+,108+,109-,110-,111-,112-,113-,114-,115+,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126+,131+,132-,133-,134-/m0/s1 > GOFSIJWMKMMRDT-CBSVYJGJSA-N $$$$