Mrv0541 02231220482D 113119 0 0 0 0 999 V2000 15.0705 -21.4168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4993 -18.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3724 -22.5437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2138 -20.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9283 -16.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6427 -17.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0716 -15.2293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0705 -19.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4993 -22.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2290 -24.6062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9283 -19.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0868 -23.7813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0716 -13.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3573 -12.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0716 -10.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7862 -16.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9283 -14.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3573 -17.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3199 -8.8720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2787 -6.4457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5145 -22.5437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3804 -7.6081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4205 -21.4168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5006 -11.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6427 -21.0043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6580 -20.7022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0716 -18.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4468 -9.9927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0856 -23.3688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9430 -7.1782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8825 -8.4423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6045 -5.5993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9283 -11.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9334 -4.2905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0868 -24.6062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7849 -16.0543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2151 -17.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7862 -14.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8716 -6.1975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0054 -7.8945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6626 -8.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9296 -15.2293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2151 -11.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2151 -13.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6076 -5.1370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7477 -4.7868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3586 -16.0543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6580 -24.6062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4993 -17.2917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5006 -12.7542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.3405 -4.5387 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9434 -23.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9434 -22.5437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6580 -22.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6580 -23.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7849 -21.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2138 -18.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2138 -17.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7849 -20.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4993 -19.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4993 -21.4168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2290 -23.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9283 -18.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9283 -17.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3724 -23.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2138 -21.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6427 -16.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6427 -18.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6427 -15.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3573 -16.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3573 -14.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5145 -23.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0716 -16.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2455 -21.4168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0716 -11.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7862 -12.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7862 -11.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0716 -12.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9283 -21.4168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3573 -13.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3573 -18.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3573 -11.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7896 -9.5041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0376 -8.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9771 -9.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8000 -23.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1973 -5.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4220 -5.6332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2253 -7.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6949 -8.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9108 -6.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8293 -5.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6860 -6.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3724 -25.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5681 -7.4648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5006 -16.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6427 -11.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4993 -16.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7900 -5.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2151 -16.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5006 -15.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0147 -5.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1929 -7.7513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3724 -25.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2138 -16.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2151 -12.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9296 -16.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2151 -14.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3828 -4.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1158 -4.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9296 -12.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6441 -16.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2591 -3.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 54 1 0 0 0 0 1 56 1 0 0 0 0 2 57 1 0 0 0 0 2 60 1 0 0 0 0 3 54 1 0 0 0 0 3 65 1 0 0 0 0 4 60 1 0 0 0 0 4 66 1 0 0 0 0 5 64 1 0 0 0 0 5 67 1 0 0 0 0 6 64 1 0 0 0 0 6 68 1 0 0 0 0 7 71 1 0 0 0 0 7 73 1 0 0 0 0 8 59 1 0 0 0 0 9 61 1 0 0 0 0 10 62 1 0 0 0 0 11 63 1 0 0 0 0 12 65 1 0 0 0 0 13 78 1 0 0 0 0 13 80 1 0 0 0 0 14 78 1 0 0 0 0 14 82 1 0 0 0 0 15 75 1 0 0 0 0 15 83 1 0 0 0 0 16 73 1 0 0 0 0 16 96 1 0 0 0 0 17 69 1 0 0 0 0 18 70 1 0 0 0 0 19 83 1 0 0 0 0 19 84 1 0 0 0 0 20 88 1 0 0 0 0 20 91 1 0 0 0 0 21 72 1 0 0 0 0 22 91 1 0 0 0 0 22 95 1 0 0 0 0 23 74 1 0 0 0 0 24 77 1 0 0 0 0 25 79 1 0 0 0 0 26 74 2 0 0 0 0 27 81 1 0 0 0 0 28 85 1 0 0 0 0 29 86 1 0 0 0 0 30 89 1 0 0 0 0 31 90 1 0 0 0 0 32 92 1 0 0 0 0 33 97 1 0 0 0 0 34 99 1 0 0 0 0 35 94 2 0 0 0 0 36 98 2 0 0 0 0 37100 1 0 0 0 0 38101 1 0 0 0 0 39102 1 0 0 0 0 40103 1 0 0 0 0 41103 2 0 0 0 0 42107 1 0 0 0 0 43106 2 0 0 0 0 44108 1 0 0 0 0 45109 1 0 0 0 0 46110 2 0 0 0 0 47112 2 0 0 0 0 48 55 1 0 0 0 0 48 94 1 0 0 0 0 49 58 1 0 0 0 0 49 98 1 0 0 0 0 50 76 1 0 0 0 0 50106 1 0 0 0 0 51 87 1 0 0 0 0 51110 1 0 0 0 0 52 53 1 0 0 0 0 52 55 1 0 0 0 0 52 62 1 0 0 0 0 53 54 1 0 0 0 0 54 74 1 0 0 0 0 55 65 1 0 0 0 0 56 59 1 0 0 0 0 56 61 1 0 0 0 0 57 58 1 0 0 0 0 57 63 1 0 0 0 0 58 64 1 0 0 0 0 59 60 1 0 0 0 0 61 66 1 0 0 0 0 62 72 1 0 0 0 0 63 68 1 0 0 0 0 66 79 1 0 0 0 0 67 69 1 0 0 0 0 67 70 1 0 0 0 0 68 81 1 0 0 0 0 69 71 1 0 0 0 0 70 73 1 0 0 0 0 71 80 1 0 0 0 0 72 86 1 0 0 0 0 75 77 1 0 0 0 0 75 82 1 0 0 0 0 76 77 1 0 0 0 0 76 78 1 0 0 0 0 82 97 1 0 0 0 0 83 85 1 0 0 0 0 84 89 1 0 0 0 0 84 95 1 0 0 0 0 85 90 1 0 0 0 0 87 88 1 0 0 0 0 87 92 1 0 0 0 0 88 99 1 0 0 0 0 89 90 1 0 0 0 0 91 93 1 0 0 0 0 91103 1 0 0 0 0 92 93 1 0 0 0 0 94104 1 0 0 0 0 96100 1 0 0 0 0 96101 1 0 0 0 0 98105 1 0 0 0 0 99102 1 0 0 0 0 100107 1 0 0 0 0 101108 1 0 0 0 0 102109 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 110113 1 0 0 0 0 M END > BMDB0006681 > bmdb > CC(=O)NC1C(O)OC(CC1C(O)C(O)CO)(OC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3C(O)C(COC4OC(CO)C(OC5OC(COC6(CC(O)C(NC(C)=O)C(O6)C(O)C(O)CO)C(O)=O)C(O)C(O)C5O)C(O)C4NC(C)=O)OC(OC(C(O)CO)C(O)C(O)C=O)C3O)C2NC(C)=O)C1O)C(O)=O > InChI=1S/C62H102N4O47/c1-16(74)63-31-20(35(83)22(79)7-67)5-62(60(98)99,113-53(31)95)112-52-40(88)27(12-72)103-58(46(52)94)109-49-34(66-19(4)77)55(102-26(11-71)39(49)87)110-51-41(89)29(105-57(45(51)93)107-47(25(82)10-70)36(84)23(80)8-68)14-100-54-33(65-18(3)76)42(90)48(28(13-73)104-54)108-56-44(92)43(91)38(86)30(106-56)15-101-61(59(96)97)6-21(78)32(64-17(2)75)50(111-61)37(85)24(81)9-69/h8,20-58,67,69-73,78-95H,5-7,9-15H2,1-4H3,(H,63,74)(H,64,75)(H,65,76)(H,66,77)(H,96,97)(H,98,99) > UUZWLWYXBNTJDG-UHFFFAOYSA-N > C62H102N4O47 > 1655.4719 > 1654.571436518 > 47 > 155.82782319664673 > 0 > 30 > 0 > 0 > 2-{[2-({2-[(2-{[(5-{[6-({[2-carboxy-5-acetamido-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-acetamido-4-hydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]methyl}-3,5-dihydroxy-6-[(1,2,4,5-tetrahydroxy-6-oxohexan-3-yl)oxy]oxan-4-yl)oxy]-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-4-yl}oxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-5-acetamido-6-hydroxy-4-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid > -2.30 > -17.858462369999998 > -1.23 > 1 > 7 > -2 > 3.182900960653818 > 2.5805593836815786 > -3.95452978163127 > 822.8100000000005 > 342.7322999999997 > 36 > 0 > 9.80e+01 g/l > 2-{[2-({2-[(2-{[(5-{[6-({[2-carboxy-5-acetamido-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-acetamido-4-hydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]methyl}-3,5-dihydroxy-6-[(1,2,4,5-tetrahydroxy-6-oxohexan-3-yl)oxy]oxan-4-yl)oxy]-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-4-yl}oxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-5-acetamido-6-hydroxy-4-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid > 0 > BMDB0006681 > Disialyllacto-N-hexaose I > Disialyllacto-N-hexaose I; DSLNH-I; O-(N-acetyl-alpha-neuraminosyl)-(2->3)-O-beta-D-galactopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-[O-(N-acetyl-alpha-neuraminosyl)-(2->6)-O-beta-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->6)]-O-beta-D-galactopyranosyl-(1->4)- D-Glucose; O-(N-acetyl-alpha-neuraminosyl)-(2->3)-O-beta-delta-galactopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-beta-delta-glucopyranosyl-(1->3)-O-[O-(N-acetyl-alpha-neuraminosyl)-(2->6)-O-beta-delta-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-delta-glucopyranosyl-(1->6)]-O-beta-delta-galactopyranosyl-(1->4)- D-Glucose $$$$