HMDB0253675 RDKit 3D Isopropyl 4-hydroxybenzoate 25 25 0 0 0 0 0 0 0 0999 V2000 -3.2297 0.7325 -1.3568 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6557 0.2733 -0.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2938 1.0364 1.0875 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2487 0.3299 -0.0157 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4156 -0.7403 0.1205 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9024 -1.8795 0.2425 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0336 -0.5918 0.1277 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6490 0.6431 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0267 0.7612 0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8291 -0.3346 0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2281 -0.2022 0.1532 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2440 -1.5690 0.2762 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8681 -1.6807 0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6216 0.3792 -2.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2473 0.3194 -1.5076 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3243 1.8310 -1.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9372 -0.7941 0.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9769 0.5930 2.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1218 2.1214 1.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3903 0.8839 1.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0384 1.5167 -0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5121 1.7283 -0.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6754 -0.2641 -0.7444 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8709 -2.4415 0.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3898 -2.6515 0.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 2 0 13 7 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 3 20 1 0 8 21 1 0 9 22 1 0 11 23 1 0 12 24 1 0 13 25 1 0 M END