HMDB0249020 RDKit 3D Benzoic acid, 2-[[3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl]amino]- 41 42 0 0 0 0 0 0 0 0999 V2000 -6.7441 -1.4299 1.6133 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0083 -0.7650 0.6080 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6208 -0.6736 0.6354 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8644 -1.2243 1.6443 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4660 -1.1164 1.6459 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7978 -0.4587 0.6438 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3230 -0.3169 0.5992 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4525 -0.8077 1.5105 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8981 -0.6801 1.4857 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5291 -1.2228 2.4637 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5334 0.0048 0.4360 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9299 0.1834 0.3238 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8557 -0.2404 1.2536 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2285 -0.0515 1.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7310 0.5952 0.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8564 1.0324 -0.8941 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4651 0.8434 -0.7874 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6355 1.3417 -1.8542 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4109 1.2973 -2.0023 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2956 1.9994 -2.9336 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5669 0.0967 -0.3745 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9381 -0.0163 -0.3641 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7231 0.5377 -1.3820 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0741 1.2179 -2.4244 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5960 -2.5249 1.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3755 -1.1775 2.6318 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8154 -1.1962 1.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3615 -1.7512 2.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9237 -1.5661 2.4599 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 0.2242 -0.2449 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0124 -1.3502 2.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9089 0.3994 -0.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5020 -0.7570 2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8707 -0.4267 1.9363 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8100 0.7489 -0.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2615 1.5427 -1.7542 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8025 2.8495 -2.7781 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0532 0.6245 -1.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7394 2.2423 -2.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2443 0.6047 -2.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8253 1.3673 -3.2458 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 2 0 6 7 1 0 7 8 2 3 8 9 1 0 9 10 2 0 9 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 18 19 2 0 18 20 1 0 6 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 22 3 1 0 17 12 1 0 1 25 1 0 1 26 1 0 1 27 1 0 4 28 1 0 5 29 1 0 7 30 1 0 8 31 1 0 11 32 1 0 13 33 1 0 14 34 1 0 15 35 1 0 16 36 1 0 20 37 1 0 21 38 1 0 24 39 1 0 24 40 1 0 24 41 1 0 M END