HMDB0041727 RDKit 3D Dihydrosinapic acid 30 30 0 0 0 0 0 0 0 0999 V2000 -2.9008 2.7865 -1.1618 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9993 1.4554 -0.7713 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9674 0.6583 -0.2991 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6644 1.0846 -0.1468 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3335 0.2574 0.3272 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7355 0.7120 0.4938 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5890 0.4981 -0.7225 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9488 0.9917 -0.4327 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1773 2.2181 -0.4859 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0086 0.1468 -0.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0367 -1.0615 0.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2650 -1.4885 0.5195 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6140 -2.7883 0.8456 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7531 -3.7700 1.3344 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2733 -0.6449 0.0383 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5648 -1.1640 -0.0822 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0008 3.2990 -0.8115 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0020 2.9236 -2.2581 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7586 3.3379 -0.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4078 2.0960 -0.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7162 1.8003 0.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1583 0.1894 1.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6616 -0.6084 -0.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2113 0.9682 -1.6262 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6429 0.4778 0.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8348 -1.6979 1.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1180 -4.7939 1.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7679 -3.7000 2.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2758 -3.6518 0.9414 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2730 -0.5318 -0.4314 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 1 0 13 14 1 0 12 15 2 0 15 16 1 0 15 3 1 0 1 17 1 0 1 18 1 0 1 19 1 0 4 20 1 0 6 21 1 0 6 22 1 0 7 23 1 0 7 24 1 0 10 25 1 0 11 26 1 0 14 27 1 0 14 28 1 0 14 29 1 0 16 30 1 0 M END