HMDB0040829 RDKit 3D N-(1-Deoxy-b-D-fructopyranosyl) (R)C(S)S-alliin 43 43 0 0 0 0 0 0 0 0999 V2000 6.4362 1.6484 0.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4994 0.8314 -0.4593 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2433 1.4005 -1.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7942 0.8226 -0.1598 S 0 0 0 0 0 4 0 0 0 0 0 0 2.7725 1.2609 1.2799 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6825 -0.9642 -0.2858 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4222 -1.4397 0.4592 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2445 -0.8474 -0.1196 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9765 -1.4815 0.2931 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1538 -0.8085 -0.3643 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1115 -0.8594 -1.7345 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3081 -1.4877 0.0712 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4495 -0.9329 -0.5422 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6792 0.4113 0.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8195 1.0198 -0.4563 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4989 1.3037 -0.2223 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5958 2.4170 0.6114 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1805 0.6333 0.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9922 0.6650 1.4486 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5604 -1.1320 1.9022 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7143 -0.4208 2.4877 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6248 -1.6211 2.6380 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2856 2.7210 0.0346 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3524 1.2505 0.4403 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6511 -0.2293 -0.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 2.5132 -0.9352 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1443 1.1699 -2.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5634 -1.4103 0.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6009 -1.2526 -1.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3905 -2.5406 0.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2817 -0.8686 -1.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8996 -2.5604 0.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0533 -1.4419 1.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2317 -1.7813 -2.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2182 -0.8336 -1.6089 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2921 -1.6280 -0.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8387 0.3395 1.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7192 1.9997 -0.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5856 1.6532 -1.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6998 2.8737 0.7044 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3964 1.1832 -0.4891 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7952 0.9799 1.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9686 -2.5560 2.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 7 20 1 0 20 21 2 0 20 22 1 0 18 10 1 0 1 23 1 0 1 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 6 28 1 0 6 29 1 0 7 30 1 0 8 31 1 0 9 32 1 0 9 33 1 0 11 34 1 0 13 35 1 0 13 36 1 0 14 37 1 0 15 38 1 0 16 39 1 0 17 40 1 0 18 41 1 0 19 42 1 0 22 43 1 0 M END