HMDB0032211 RDKit 3D Decanal propyleneglycol acetal 41 41 0 0 0 0 0 0 0 0999 V2000 6.3300 -0.5054 -0.2646 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3303 -0.4929 0.8433 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9861 0.0805 0.3769 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4108 -0.7219 -0.7356 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1093 -0.1376 -1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1304 -0.1338 -0.0604 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1991 0.4520 -0.5531 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1379 0.4232 0.6425 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4928 0.9811 0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3451 0.9009 1.5499 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4091 -0.4239 1.9097 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3818 -0.9741 1.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3216 0.1644 0.8215 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6798 0.3159 -0.6266 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6554 1.3002 1.2495 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3223 0.4968 -0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3376 -0.6500 0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1209 -1.2640 -1.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7131 0.1009 1.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1163 -1.5197 1.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1839 1.1360 0.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2995 0.0987 1.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1204 -0.9079 -1.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1638 -1.7533 -0.3441 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 0.8956 -1.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6642 -0.7832 -1.9995 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4155 0.4964 0.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9897 -1.1747 0.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0207 1.4722 -0.9092 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6362 -0.1652 -1.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2456 -0.5782 1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7414 1.0835 1.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9379 0.3487 -0.5115 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4192 2.0392 -0.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9473 1.5734 2.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8625 -1.7963 1.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9787 -1.4459 0.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2380 -0.0241 1.4514 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4027 -0.6004 -1.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7791 0.5402 -0.7397 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1501 1.1525 -1.1264 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 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 10 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 4 24 1 0 5 25 1 0 5 26 1 0 6 27 1 0 6 28 1 0 7 29 1 0 7 30 1 0 8 31 1 0 8 32 1 0 9 33 1 0 9 34 1 0 10 35 1 0 12 36 1 0 12 37 1 0 13 38 1 0 14 39 1 0 14 40 1 0 14 41 1 0 M END