HMDB0241792 RDKit 3D (2S)-2-Hydroxy-2-(propan-2-yl)butanedioylcarnitine 47 46 0 0 0 0 0 0 0 0999 V2000 3.9175 0.6977 1.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3860 -0.3996 0.8718 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4698 -1.4829 0.7955 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0832 -0.0114 -0.5325 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5993 -1.1247 -1.2210 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1277 1.1340 -0.6938 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7937 0.8852 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7654 0.5803 1.1162 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3933 0.9647 -0.7555 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6612 0.7338 -0.1654 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5176 1.9018 -0.4399 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9236 3.1370 0.1285 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5350 4.2517 -0.0242 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7374 3.2073 0.8294 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.2442 -0.5764 -0.6602 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5090 -0.8970 -0.0913 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.6518 -2.3748 -0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6533 -0.3708 -0.7956 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6323 -0.6438 1.3173 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3591 0.3988 -1.1796 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9911 1.3796 -0.7167 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8948 -0.2499 -2.2791 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9913 0.8939 1.5834 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3735 1.6483 1.6759 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8323 0.3615 2.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5223 -0.9158 1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0715 -2.4193 0.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8986 -1.6525 1.7992 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2661 -1.0921 0.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3834 -1.8920 -0.6615 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6002 2.0612 -0.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9907 1.3127 -1.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4969 0.5876 0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5695 2.0763 -1.5634 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5828 1.8144 -0.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5241 -1.3715 -0.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3140 -0.5226 -1.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7077 -2.6557 -0.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0240 -2.8159 0.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2207 -2.6256 -1.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3249 -1.1791 -1.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3753 0.2105 -1.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3393 0.2057 -0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2994 -1.4431 1.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6477 -0.8156 1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0932 0.3022 1.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6607 -1.2141 -2.4766 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 4 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 10 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 4 20 1 0 20 21 2 0 20 22 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 3 29 1 0 5 30 1 0 6 31 1 0 6 32 1 0 10 33 1 0 11 34 1 0 11 35 1 0 15 36 1 0 15 37 1 0 17 38 1 0 17 39 1 0 17 40 1 0 18 41 1 0 18 42 1 0 18 43 1 0 19 44 1 0 19 45 1 0 19 46 1 0 22 47 1 0 M CHG 2 14 -1 16 1 M END