HMDB0041724 RDKit 3D Dihydroferulic acid 4-O-sulfate 30 30 0 0 0 0 0 0 0 0999 V2000 1.4598 3.1516 0.3482 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 1.9030 0.5393 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2843 0.7850 0.6678 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1106 0.8966 0.6092 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9102 -0.2173 0.7374 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3964 -0.1398 0.6795 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9043 -0.3141 -0.7454 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3818 -0.2272 -0.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8992 0.9096 -0.5860 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1951 -1.3394 -0.9047 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2828 -1.4308 0.9236 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0946 -1.5502 0.9825 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8947 -0.4338 0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2784 -0.4770 0.9024 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2701 -0.6856 -0.4371 S 0 0 0 0 0 6 0 0 0 0 0 0 3.7188 0.1592 -1.5559 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6661 -0.1743 -0.1205 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3702 -2.2927 -0.9288 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9564 3.1633 -0.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2637 3.9188 0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6498 3.3475 1.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5909 1.8577 0.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8778 -0.8949 1.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7761 0.8561 1.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5115 0.4781 -1.4128 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5627 -1.3208 -1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0417 -2.2307 -0.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9029 -2.3129 1.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5964 -2.5032 1.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7488 -2.8819 -0.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 5 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 2 0 15 18 1 0 13 3 1 0 1 19 1 0 1 20 1 0 1 21 1 0 4 22 1 0 6 23 1 0 6 24 1 0 7 25 1 0 7 26 1 0 10 27 1 0 11 28 1 0 12 29 1 0 18 30 1 0 M END