HMDB0038401 RDKit 3D Glucosinalbin 46 47 0 0 0 0 0 0 0 0999 V2000 -5.0455 4.0700 0.6008 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1305 3.7467 -0.5621 S 0 0 0 0 0 6 0 0 0 0 0 0 -3.2306 4.9314 -0.8706 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0474 3.3575 -1.9276 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2177 2.3950 -0.1542 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0776 2.3736 0.5409 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 1.5443 0.2908 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3126 0.6002 -0.8272 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3343 -0.4393 -0.5674 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1440 -1.5072 0.2772 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1249 -2.4724 0.4772 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3375 -2.4005 -0.1658 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3338 -3.3676 0.0283 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5477 -1.3415 -1.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5566 -0.3845 -1.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 1.6924 1.3145 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6935 0.6710 1.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3803 0.8066 -0.1504 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6894 0.3933 0.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3785 0.3334 -1.3291 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6836 -0.0842 -1.0924 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8812 -0.9226 0.6865 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1813 -0.9704 1.2102 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9403 -1.2576 1.8112 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2317 -0.5216 2.9598 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5504 -0.8056 1.3068 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4454 -1.4850 0.0703 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4925 3.5534 -2.7213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7035 1.2464 -1.6703 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3939 0.0705 -1.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1885 -1.5563 0.7804 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9587 -3.3037 1.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2233 -3.3209 -0.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4883 -1.2556 -1.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7643 0.4331 -1.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4803 1.0451 1.8176 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2554 1.1605 0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8785 -0.4991 -1.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3523 1.2885 -1.8499 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3531 0.5569 -1.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7822 -1.7529 -0.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6395 -1.8260 0.9828 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9260 -2.3344 1.9867 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2144 -0.4590 3.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7759 -1.0656 2.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7385 -0.9365 -0.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 2 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 2 3 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 7 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 19 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 15 9 1 0 26 17 1 0 4 28 1 0 8 29 1 0 8 30 1 0 10 31 1 0 11 32 1 0 13 33 1 0 14 34 1 0 15 35 1 0 17 36 1 0 19 37 1 0 20 38 1 0 20 39 1 0 21 40 1 0 22 41 1 0 23 42 1 0 24 43 1 0 25 44 1 0 26 45 1 0 27 46 1 0 M END