HMDB0038047 RDKit 3D Carvyl propionate 35 35 0 0 0 0 0 0 0 0999 V2000 -4.0932 0.5635 -0.8037 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9094 1.0496 -0.4852 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7188 2.5065 -0.7888 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8972 0.2041 0.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4270 -1.1731 0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3142 -2.0670 0.8725 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 -1.7379 0.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9904 -2.7030 1.3271 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3958 -0.4415 0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7247 -0.4299 -0.1390 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7208 0.3330 0.4369 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3761 1.0404 1.4156 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1043 0.2954 -0.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4782 1.5059 -0.8788 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5895 0.0984 -0.6764 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3460 -0.4648 -0.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9053 1.1553 -1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6917 2.8448 -0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0486 2.6256 -1.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4569 3.0481 -0.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6128 0.6467 1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8018 -1.6653 -0.5305 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2474 -1.1275 1.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6035 -3.0186 1.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9217 -2.4960 0.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0814 -2.5681 2.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7127 -3.7503 1.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3625 0.2717 1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2342 -0.5956 -0.7393 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8472 0.1786 0.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5650 1.9376 -1.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9644 2.2344 -0.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2474 1.2227 -1.6269 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3424 1.1025 -1.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6801 -0.6260 -1.5046 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 2 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 9 15 1 0 15 4 1 0 1 16 1 0 1 17 1 0 3 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 5 22 1 0 5 23 1 0 6 24 1 0 8 25 1 0 8 26 1 0 8 27 1 0 9 28 1 0 13 29 1 0 13 30 1 0 14 31 1 0 14 32 1 0 14 33 1 0 15 34 1 0 15 35 1 0 M END