HMDB0094711 RDKit 3D 9-Oxo-nonanoic acid 28 27 0 0 0 0 0 0 0 0999 V2000 -4.2242 1.0564 -1.1019 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1194 0.0246 -0.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4907 0.0260 0.8993 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9786 -0.0641 0.8459 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4588 1.1054 0.0878 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0466 1.1134 -0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5044 -0.1184 -0.6942 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0273 -0.1658 -0.8474 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7278 -0.1289 0.4993 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1957 -0.1776 0.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9576 -0.1466 1.2771 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7626 -0.2556 -0.9712 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5105 -0.9012 -0.8355 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8351 -0.8713 1.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7823 0.9326 1.4447 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5454 -0.0895 1.8641 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6727 -1.0077 0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7544 2.0825 0.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9051 1.1250 -0.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 2.0420 -0.4962 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5118 1.1354 1.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2757 -1.0156 -0.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0677 -0.2039 -1.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2405 -1.1511 -1.3125 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4016 0.6455 -1.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5211 0.8276 1.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3539 -0.9432 1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2609 -0.4050 -1.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 2 0 10 12 1 0 2 13 1 0 3 14 1 0 3 15 1 0 4 16 1 0 4 17 1 0 5 18 1 0 5 19 1 0 6 20 1 0 6 21 1 0 7 22 1 0 7 23 1 0 8 24 1 0 8 25 1 0 9 26 1 0 9 27 1 0 12 28 1 0 M END