Mrv0541 05061308302D 74 82 0 0 0 0 999 V2000 8.5617 1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6091 1.9318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0519 -1.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4029 1.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8658 1.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5052 0.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6918 -0.9169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5118 -0.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9497 0.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6857 1.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5057 1.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3832 -0.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2793 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0458 1.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2825 -2.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8576 4.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2402 3.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8666 -0.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3111 0.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5275 1.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7681 -1.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2031 -0.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8431 -0.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3544 0.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6631 0.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2258 1.0772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1437 0.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1055 0.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9914 -0.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5331 -2.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1889 3.4634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5715 2.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8154 0.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0994 -1.9450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3391 -1.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0088 3.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3915 2.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9194 -2.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5896 -1.1733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3401 2.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0341 -0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4081 -1.3712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8515 1.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7228 1.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2342 0.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2281 -0.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0768 -0.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0315 2.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4142 0.8955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9944 0.7759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5345 0.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8380 -3.5315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0376 4.3098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4203 3.1621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2629 1.7419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6107 -2.6097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8945 -2.5693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4975 4.0372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8802 2.8896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2507 -2.7914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3956 -0.9973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1601 2.5261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2846 0.2227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2281 -1.4620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1828 1.1967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6726 -0.1295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2568 -0.5248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8124 -0.1933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9255 0.2308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9776 -1.5255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7002 2.7987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0829 1.6510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5428 1.3785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5655 0.0491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8 7 1 0 0 0 0 9 6 1 0 0 0 0 11 10 1 0 0 0 0 19 1 1 0 0 0 0 19 6 1 0 0 0 0 19 18 1 0 0 0 0 20 2 1 0 0 0 0 21 3 1 0 0 0 0 22 7 1 0 0 0 0 22 12 1 0 0 0 0 23 8 1 0 0 0 0 24 10 1 0 0 0 0 24 23 1 0 0 0 0 25 13 1 0 0 0 0 25 23 1 0 0 0 0 26 14 1 0 0 0 0 27 9 1 0 0 0 0 27 20 2 0 0 0 0 28 12 1 0 0 0 0 28 26 1 0 0 0 0 29 13 1 0 0 0 0 30 15 1 0 0 0 0 31 16 1 0 0 0 0 32 17 1 0 0 0 0 33 20 1 0 0 0 0 33 29 1 0 0 0 0 34 21 1 0 0 0 0 35 30 1 0 0 0 0 36 31 1 0 0 0 0 37 32 1 0 0 0 0 38 34 1 0 0 0 0 39 35 1 0 0 0 0 40 36 1 0 0 0 0 41 39 1 0 0 0 0 42 38 1 0 0 0 0 43 40 1 0 0 0 0 44 37 1 0 0 0 0 45 44 1 0 0 0 0 46 41 1 0 0 0 0 47 42 1 0 0 0 0 48 43 1 0 0 0 0 49 45 1 0 0 0 0 50 4 1 0 0 0 0 50 11 1 0 0 0 0 50 25 1 0 0 0 0 50 33 1 0 0 0 0 51 5 1 0 0 0 0 51 14 1 0 0 0 0 51 22 1 0 0 0 0 51 24 1 0 0 0 0 52 15 1 0 0 0 0 53 16 1 0 0 0 0 54 17 1 0 0 0 0 55 26 1 0 0 0 0 56 34 1 0 0 0 0 57 35 1 0 0 0 0 58 36 1 0 0 0 0 59 37 1 0 0 0 0 60 38 1 0 0 0 0 61 39 1 0 0 0 0 62 40 1 0 0 0 0 63 41 1 0 0 0 0 64 42 1 0 0 0 0 65 43 1 0 0 0 0 66 18 1 0 0 0 0 66 46 1 0 0 0 0 67 21 1 0 0 0 0 67 47 1 0 0 0 0 68 27 1 0 0 0 0 68 29 1 0 0 0 0 69 28 1 0 0 0 0 69 49 1 0 0 0 0 70 30 1 0 0 0 0 70 46 1 0 0 0 0 71 31 1 0 0 0 0 71 48 1 0 0 0 0 72 32 1 0 0 0 0 72 49 1 0 0 0 0 73 44 1 0 0 0 0 73 48 1 0 0 0 0 74 45 1 0 0 0 0 74 47 1 0 0 0 0 M END > HMDB0035483 > hmdb > CC(CCC1=C(C)C2C(CC3C4CCC5CC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC23C)O1)COC1OC(CO)C(O)C(O)C1O > InChI=1S/C51H84O23/c1-19(18-66-46-41(63)39(61)35(57)30(15-52)70-46)6-9-27-20(2)33-29(68-27)13-25-23-8-7-22-12-28(26(55)14-51(22,5)24(23)10-11-50(25,33)4)69-49-45(74-47-42(64)38(60)34(56)21(3)67-47)44(37(59)32(17-54)72-49)73-48-43(65)40(62)36(58)31(16-53)71-48/h19,21-26,28-49,52-65H,6-18H2,1-5H3 > IACOUOXSBMSIBH-UHFFFAOYSA-N > C51H84O23 > 1065.1989 > 1064.540338994 > 23 > 113.89391203056812 > 0 > 14 > 0 > 0 > 2-[(3-hydroxy-6-{[15-hydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-6-en-16-yl]oxy}-2-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol > -0.90 > -2.8612867769999983 > -2.82 > 1 > 9 > 0 > 12.194459473711158 > 11.75592140303238 > -3.6483775752817795 > 366.29000000000013 > 252.06790000000007 > 15 > 0 > 1.60e+00 g/l > 2-[(3-hydroxy-6-{[15-hydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-6-en-16-yl]oxy}-2-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > HMDB0035483 > Tuberoside C (Allium tuberosum) > 26-O-beta-D-Glucopyranosyl-(25S)-5alpha-furost-20(22)-ene-2alpha,3beta,26-triol 3-O-alpha-L-rhamnopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranoside; Tuberoside C (Allium tuberosum) $$$$