HMDB0037188 RDKit 3D Rhodinyl butyrate 42 41 0 0 0 0 0 0 0 0999 V2000 -3.9096 -1.6267 1.4274 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8504 -1.0601 0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4060 -1.7315 -0.9389 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2141 0.2762 0.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0752 0.1182 -0.8536 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2823 1.3176 -1.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5826 2.0446 -0.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4431 2.6308 0.9588 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5445 1.2405 0.5387 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 0.8981 -0.5017 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6676 0.1703 0.0372 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4905 -1.0493 0.6164 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3645 -1.5611 0.6876 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6715 -1.7977 1.1827 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9190 -0.9890 0.9833 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2223 -0.6978 -0.4588 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3603 -2.5967 1.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4966 -1.1287 2.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7058 -2.5500 -1.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5048 -1.0536 -1.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3772 -2.2457 -0.7097 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9554 0.6036 1.0994 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0039 0.9695 -0.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5348 -0.2474 -1.8249 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4615 -0.7480 -0.5184 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5480 1.0585 -1.9974 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9765 2.0403 -1.7463 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 2.9065 -0.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3714 2.1085 1.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4629 2.8519 0.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0153 3.6594 1.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0137 1.8823 1.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1354 0.3395 1.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1234 0.3034 -1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0057 1.7954 -0.9808 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7259 -2.8017 0.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4877 -1.8641 2.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8270 -0.0765 1.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7685 -1.5748 1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3404 -0.7351 -0.6023 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9315 0.3510 -0.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7743 -1.4306 -1.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 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 14 15 1 0 15 16 1 0 1 17 1 0 1 18 1 0 3 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 7 28 1 0 8 29 1 0 8 30 1 0 8 31 1 0 9 32 1 0 9 33 1 0 10 34 1 0 10 35 1 0 14 36 1 0 14 37 1 0 15 38 1 0 15 39 1 0 16 40 1 0 16 41 1 0 16 42 1 0 M END