Mrv0541 02231220442D 68 72 0 0 1 0 999 V2000 17.7353 -7.6601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9993 -8.7207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4978 -6.9455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5603 -6.2312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7138 -9.9582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1848 -8.2243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3056 -10.0974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5603 -4.8022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7353 -4.8022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0902 -9.1429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0853 -4.8022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7943 -11.4402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8572 -8.7207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8572 -10.3707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2103 -6.2312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0353 -4.8022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2103 -3.3732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8421 -6.9106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9590 -9.9796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8478 -5.5166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4993 -7.2469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7551 -10.6619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9350 -8.7974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4686 -12.2867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7326 -13.3474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7138 -11.6082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5696 -11.1581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1398 -13.5954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8572 -7.8957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4282 -7.8957 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.5921 -8.4724 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7353 -6.2312 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2241 -9.0029 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3228 -6.9456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3228 -5.5166 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4978 -5.5166 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8168 -8.7546 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0853 -6.2312 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.7138 -9.1332 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4282 -8.7207 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0808 -9.8153 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.1428 -9.1332 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.1428 -9.9582 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9728 -5.5166 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4282 -10.3707 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.7978 -5.5166 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3724 -8.3675 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.2103 -4.8022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.7978 -4.0877 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1623 -10.9100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8421 -7.7356 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.6736 -9.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9728 -4.0877 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2603 -6.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0296 -7.8787 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3870 -11.1921 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7474 -8.6540 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2438 -12.0046 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2778 -9.2862 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8758 -12.5349 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.6511 -12.2527 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4282 -11.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7129 -10.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5603 -3.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9955 -10.0614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2831 -12.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1428 -7.4832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1428 -6.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31 1 1 1 0 0 0 34 1 1 1 0 0 0 33 2 1 6 0 0 0 39 2 1 6 0 0 0 3 34 1 0 0 0 0 3 38 1 0 0 0 0 32 4 1 1 0 0 0 44 4 1 6 0 0 0 5 39 1 0 0 0 0 5 45 1 0 0 0 0 37 6 1 1 0 0 0 47 6 1 6 0 0 0 41 7 1 6 0 0 0 50 7 1 1 0 0 0 8 44 1 0 0 0 0 8 53 1 0 0 0 0 35 9 1 6 0 0 0 10 47 1 0 0 0 0 10 59 1 0 0 0 0 36 11 1 6 0 0 0 12 50 1 0 0 0 0 12 61 1 0 0 0 0 42 13 1 1 0 0 0 43 14 1 6 0 0 0 46 15 1 6 0 0 0 48 16 1 1 0 0 0 49 17 1 1 0 0 0 51 18 1 6 0 0 0 19 52 1 0 0 0 0 20 54 1 0 0 0 0 55 21 1 1 0 0 0 56 22 1 1 0 0 0 57 23 1 1 0 0 0 58 24 1 6 0 0 0 60 25 1 6 0 0 0 26 62 1 0 0 0 0 27 63 2 0 0 0 0 28 66 1 0 0 0 0 29 67 2 0 0 0 0 40 30 1 6 0 0 0 30 67 1 0 0 0 0 31 33 1 0 0 0 0 31 37 1 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 33 41 1 0 0 0 0 35 36 1 0 0 0 0 36 38 1 0 0 0 0 37 52 1 0 0 0 0 38 54 1 6 0 0 0 39 40 1 0 0 0 0 40 42 1 0 0 0 0 41 63 1 0 0 0 0 42 43 1 0 0 0 0 43 45 1 0 0 0 0 44 46 1 0 0 0 0 45 62 1 1 0 0 0 46 48 1 0 0 0 0 47 51 1 0 0 0 0 48 49 1 0 0 0 0 49 53 1 0 0 0 0 50 56 1 0 0 0 0 51 55 1 0 0 0 0 53 64 1 1 0 0 0 55 57 1 0 0 0 0 56 58 1 0 0 0 0 57 59 1 0 0 0 0 58 60 1 0 0 0 0 59 65 1 1 0 0 0 60 61 1 0 0 0 0 61 66 1 6 0 0 0 67 68 1 0 0 0 0 M END > CHEM036153 > chemdb > C[C@@H]1O[C@@H](O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=O)[C@@H](O)[C@H](O)[C@@H]1O > InChI=1S/C38H65NO29/c1-9-18(46)24(52)28(56)35(59-9)64-16(8-44)32(67-38-33(27(55)22(50)14(6-42)63-38)68-36-29(57)25(53)19(47)10(2)60-36)31(15(7-43)65-37-30(58)26(54)21(49)13(5-41)62-37)66-34-17(39-11(3)45)23(51)20(48)12(4-40)61-34/h7,9-10,12-38,40-42,44,46-58H,4-6,8H2,1-3H3,(H,39,45)/t9-,10-,12+,13+,14+,15-,16+,17+,18+,19+,20+,21-,22-,23+,24+,25+,26-,27-,28-,29-,30+,31+,32+,33+,34+,35-,36-,37+,38+/m0/s1 > PSJVAGXZRSPYJB-UUXGNFCPSA-N > C38H65NO29 > 999.912 > 999.364225123 > 29 > 93.21334794506771 > 0 > 18 > 0 > 0 > N-[(2R,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R)-4-{[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-6-hydroxy-1-oxo-2-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide > -1.95 > -10.616754051666668 > -0.76 > 1 > 5 > 0 > 11.824343035932264 > 11.407591478180635 > -3.676506702989543 > 482.38000000000005 > 207.42599999999987 > 19 > 0 > 1.75e+02 g/l > N-[(2R,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R)-4-{[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-6-hydroxy-1-oxo-2-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide > 0 > Lacto-N-difucohexaose > 16789-38-1 $$$$