HMDB0032640 RDKit 3D Ethyl p-anisate 25 25 0 0 0 0 0 0 0 0999 V2000 -4.3566 0.1789 -1.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6710 -1.1055 -0.5545 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2797 -1.0074 -0.5691 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6677 -0.0390 0.2204 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3949 0.7104 0.9167 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2251 0.1218 0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3067 1.1002 1.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6775 1.2617 1.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5283 0.4546 0.3464 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8725 0.6892 0.4526 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8889 0.0023 -0.2106 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9947 -0.5246 -0.4581 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6218 -0.6711 -0.4864 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7624 0.5994 -1.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4972 0.8773 -0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3679 -0.1270 -1.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0873 -1.4205 0.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9496 -1.8891 -1.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3118 1.7577 1.6696 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0847 2.0342 1.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5845 -0.4367 -1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4236 -0.7329 0.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6912 0.7563 -0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6729 -1.1374 -1.0335 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2238 -1.4530 -1.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 9 12 1 0 12 13 2 0 13 6 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 7 19 1 0 8 20 1 0 11 21 1 0 11 22 1 0 11 23 1 0 12 24 1 0 13 25 1 0 M END