HMDB0041772 RDKit 3D Resveratrol 3-sulfate 33 34 0 0 0 0 0 0 0 0999 V2000 3.8947 -2.7137 -0.5703 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8157 -1.6946 0.0006 S 0 0 0 0 0 6 0 0 0 0 0 0 5.3954 -0.8328 -1.0952 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0794 -2.4371 0.8047 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0099 -0.6494 1.0959 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1275 0.3273 0.6571 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6006 1.5785 0.3649 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7681 2.5744 -0.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2558 3.8335 -0.3634 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4362 2.2706 -0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8983 1.0327 0.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5342 0.7974 -0.0986 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1408 -0.3376 0.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5637 -0.5459 -0.0409 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4461 0.4117 -0.4735 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8174 0.1500 -0.6264 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3363 -1.0918 -0.3451 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6805 -1.3992 -0.4799 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4637 -2.0651 0.0905 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1213 -1.8032 0.2385 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7695 0.0595 0.5083 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4155 -1.8421 1.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6560 1.7924 0.4789 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6639 4.5714 -0.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7609 3.0534 -0.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1345 1.6253 -0.4454 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5394 -1.1613 0.4822 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0691 1.4085 -0.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4592 0.9312 -0.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3377 -1.2723 0.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8878 -3.0545 0.3128 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4507 -2.5759 0.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4351 -0.9414 0.7495 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 0 7 8 1 0 8 9 1 0 8 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 11 21 2 0 21 6 1 0 20 14 1 0 4 22 1 0 7 23 1 0 9 24 1 0 10 25 1 0 12 26 1 0 13 27 1 0 15 28 1 0 16 29 1 0 18 30 1 0 19 31 1 0 20 32 1 0 21 33 1 0 M END