HMDB0061189 RDKit 3D 3-Hydroxyisovalerylcarnitine 41 40 0 0 0 0 0 0 0 0999 V2000 3.1569 0.7068 1.8246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4249 0.2362 0.4342 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9464 0.1335 0.2214 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0011 1.2090 -0.4713 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8676 -1.1297 0.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4043 -1.2303 0.2858 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9233 -1.8129 1.3231 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5128 -0.7287 -0.6171 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9241 -0.8200 -0.4839 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4758 -1.4148 -1.7157 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9313 -2.7709 -1.9475 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2459 -3.4467 -2.9830 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 -3.3969 -1.0801 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.3510 0.5995 -0.2112 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7051 0.8744 0.0038 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.8114 1.6651 1.2578 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2571 1.8009 -1.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6404 -0.1876 0.1204 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1192 0.9324 2.3211 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5948 -0.0334 2.4337 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6182 1.6806 1.7948 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4940 0.8072 0.8819 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -0.9268 0.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1972 0.3031 -0.8665 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7021 1.5092 -1.0946 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3622 -1.8729 0.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1432 -1.3819 -0.9218 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0840 -1.4500 0.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5803 -1.5257 -1.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2291 -0.8319 -2.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0009 1.1871 -1.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 0.9826 0.6061 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9066 1.8457 1.3651 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2859 2.6160 1.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3941 1.0837 2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8142 2.7923 -0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0165 1.4912 -2.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3555 1.8115 -0.8306 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3927 0.1156 0.9177 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2645 -1.1473 0.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3161 -0.2752 -0.7862 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 2 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 9 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 15 18 1 0 1 19 1 0 1 20 1 0 1 21 1 0 3 22 1 0 3 23 1 0 3 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 9 28 1 1 10 29 1 0 10 30 1 0 14 31 1 0 14 32 1 0 16 33 1 0 16 34 1 0 16 35 1 0 17 36 1 0 17 37 1 0 17 38 1 0 18 39 1 0 18 40 1 0 18 41 1 0 M CHG 2 13 -1 15 1 M END