Mrv1652305221920022D 69 71 0 0 0 0 999 V2000 2.0610 1.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5113 -1.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3272 -0.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7969 -2.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3465 1.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0824 -1.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6321 1.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0824 1.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0824 0.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0824 -1.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6321 0.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7969 -0.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0610 2.6099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0450 0.7172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7969 -3.1651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6321 -2.3401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6321 2.6099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7969 1.7849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7969 0.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2666 -0.0581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5113 -1.1026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3465 0.5474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6321 -0.6901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6799 1.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4182 -2.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7635 0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8953 1.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9031 -1.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2822 1.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7281 -1.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4976 1.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3261 0.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9830 -0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9392 0.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3156 -0.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8515 2.2390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7537 -3.1525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9566 -0.0203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4537 2.5360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2130 -2.3988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8845 2.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5414 0.4122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8676 0.1512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7238 0.3701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7676 -0.6918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6481 -0.9468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5592 -5.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5843 -6.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9881 -8.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1553 -6.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5843 -6.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2736 -8.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1553 -6.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2736 -9.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5592 -9.7651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1553 -9.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8698 -7.2901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1553 -8.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5592 -4.8151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2987 -5.6401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9881 -7.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8698 -5.6401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2987 -7.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5592 -7.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9881 -9.7651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5592 -10.5901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8698 -9.7651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5592 -8.1151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8698 -8.1151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 6 1 0 0 0 0 11 9 1 0 0 0 0 12 3 1 0 0 0 0 12 10 1 0 0 0 0 13 1 1 0 0 0 0 14 3 1 0 0 0 0 15 4 1 0 0 0 0 16 6 1 0 0 0 0 17 7 1 0 0 0 0 18 8 1 0 0 0 0 19 9 1 0 0 0 0 20 12 1 0 0 0 0 21 2 1 0 0 0 0 21 12 1 0 0 0 0 22 5 1 0 0 0 0 22 11 1 0 0 0 0 23 10 1 0 0 0 0 23 11 1 0 0 0 0 27 24 1 0 0 0 0 28 25 1 0 0 0 0 29 27 1 0 0 0 0 30 28 1 0 0 0 0 31 29 1 0 0 0 0 32 31 1 0 0 0 0 33 30 1 0 0 0 0 34 32 1 0 0 0 0 35 26 1 0 0 0 0 35 33 1 0 0 0 0 36 24 1 0 0 0 0 37 25 1 0 0 0 0 38 26 1 0 0 0 0 39 29 1 0 0 0 0 40 30 1 0 0 0 0 41 31 1 0 0 0 0 42 32 1 0 0 0 0 43 35 1 0 0 0 0 44 27 1 0 0 0 0 44 34 1 0 0 0 0 45 33 1 0 0 0 0 45 34 1 0 0 0 0 46 28 1 0 0 0 0 46 35 1 0 0 0 0 50 47 1 0 0 0 0 51 48 1 0 0 0 0 52 49 1 0 0 0 0 53 50 1 0 0 0 0 54 52 1 0 0 0 0 55 54 1 0 0 0 0 56 55 1 0 0 0 0 57 51 1 0 0 0 0 57 53 1 0 0 0 0 58 56 1 0 0 0 0 59 47 1 0 0 0 0 60 48 1 0 0 0 0 61 49 1 0 0 0 0 62 50 1 0 0 0 0 63 51 2 0 0 0 0 64 53 1 0 0 0 0 65 54 1 0 0 0 0 66 55 1 0 0 0 0 67 56 1 0 0 0 0 68 52 1 0 0 0 0 68 58 1 0 0 0 0 69 57 1 0 0 0 0 69 58 1 0 0 0 0 M END > FDB002107 > foodb > OCC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(=O)CO.OCC1OC(O)(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O.OCC1OC(OC2C(O)C(O)COC2(O)CO)C(O)C(O)C1O > InChI=1S/3C12H22O11/c13-1-5-7(17)8(18)9(19)11(22-5)23-10-6(16)4(15)2-21-12(10,20)3-14;13-1-4-6(16)8(18)9(19)11(21-4)22-10-7(17)5(2-14)23-12(10,20)3-15;13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h2*4-11,13-20H,1-3H2;4,6-16,18-21H,1-3H2 > DTUQSKSQTMCUHD-UHFFFAOYSA-N > C36H66O33 > 1026.8894 > 1026.348634638 > 11 > 135 > 31.30921342614303 > 0 > 8 > 0 > 0 > 1,4,5,6-tetrahydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexan-2-one; 2-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2,4,5-triol; 2-{[2,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > -3.20 > -4.528834963666666 > 0.38 > 1 > 5 > 0 > 12.130874760158056 > 10.275808604088995 > -2.9810835781954017 > 189.52999999999997 > 68.7741 > 17 > 0 > 8.29e+02 g/l > 2-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2,4,5-triol; 2-{[2,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol; turanose > 0 > FDB002107 > Turanose $$$$