HMDB0059833 RDKit 3D Ethyl tridecanoate 47 46 0 0 0 0 0 0 0 0999 V2000 5.6782 2.6361 0.3088 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9396 1.1644 0.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8216 0.3172 0.6503 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5563 0.7318 -0.0387 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3298 -0.0180 0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5150 -1.4743 0.1679 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3377 -2.3133 0.5947 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0651 -1.9176 -0.1313 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0174 -2.8310 0.3906 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3635 -2.6084 -0.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8179 -1.2093 0.0679 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1895 -0.9200 -0.5103 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5173 0.4885 -0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7622 1.2422 0.4814 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7351 0.9884 -0.5920 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1716 2.2924 -0.3394 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2103 3.2731 -0.9435 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1332 3.0649 -0.5743 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0522 2.8264 1.1959 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6505 3.1636 0.4367 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8966 0.8985 0.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9716 0.9871 -1.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8104 0.4925 1.7324 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0303 -0.7443 0.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4103 1.8320 0.1544 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6814 0.5637 -1.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1716 0.1622 1.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4861 0.3373 -0.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7860 -1.6933 -0.8642 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3724 -1.8277 0.8139 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5498 -3.3653 0.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1426 -2.2102 1.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2118 -0.8672 0.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 -2.0124 -1.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7340 -3.9064 0.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0317 -2.7174 1.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2715 -2.7860 -1.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0922 -3.3701 0.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1137 -0.5053 -0.4467 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8396 -0.9681 1.1305 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2587 -1.1165 -1.5832 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9607 -1.5637 -0.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3107 2.4698 0.7507 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1615 2.4117 -0.8683 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9304 4.0600 -0.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2265 2.7934 -1.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6237 3.7483 -1.8374 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 2 0 13 15 1 0 15 16 1 0 16 17 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 4 25 1 0 4 26 1 0 5 27 1 0 5 28 1 0 6 29 1 0 6 30 1 0 7 31 1 0 7 32 1 0 8 33 1 0 8 34 1 0 9 35 1 0 9 36 1 0 10 37 1 0 10 38 1 0 11 39 1 0 11 40 1 0 12 41 1 0 12 42 1 0 16 43 1 0 16 44 1 0 17 45 1 0 17 46 1 0 17 47 1 0 M END