HMDB0031706 RDKit 3D 3,4-Dihydroxyphenacyl caffeate 38 39 0 0 0 0 0 0 0 0999 V2000 0.2962 1.9288 0.9804 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4049 1.1466 0.3087 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8533 1.0213 0.5255 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5564 0.1896 -0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9792 0.0489 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7214 0.7354 0.9139 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1023 0.5563 1.0564 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7463 -0.3469 0.2407 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1174 -0.5529 0.3519 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0003 -1.0403 -0.6865 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6549 -1.9495 -1.5061 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6424 -0.8681 -0.8308 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1969 0.3803 -0.6622 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5562 0.3973 -0.9739 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4256 0.0254 0.1572 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9268 -0.2659 1.2625 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8620 0.0033 -0.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4305 0.3230 -1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8025 0.2998 -1.4229 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6569 -0.0403 -0.3995 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0438 -0.0548 -0.6067 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1086 -0.3628 0.8226 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9882 -0.7038 1.8445 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7400 -0.3395 0.9959 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3239 1.6167 1.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0254 -0.3878 -0.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2615 1.4444 1.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6782 1.1049 1.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5641 -1.2231 -0.2609 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1572 -2.4854 -2.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0643 -1.4283 -1.5741 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7217 -0.3815 -1.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7979 1.4077 -1.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7665 0.5914 -2.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2499 0.5517 -2.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4010 0.1893 -1.5211 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5771 -0.9404 2.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3053 -0.5910 1.9503 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 10 12 2 0 2 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 1 0 22 24 2 0 12 5 1 0 24 17 1 0 3 25 1 0 4 26 1 0 6 27 1 0 7 28 1 0 9 29 1 0 11 30 1 0 12 31 1 0 14 32 1 0 14 33 1 0 18 34 1 0 19 35 1 0 21 36 1 0 23 37 1 0 24 38 1 0 M END