HMDB0243886 RDKit 3D 1-Heptanesulfonic acid 27 26 0 0 0 0 0 0 0 0999 V2000 -3.0816 1.2422 0.4717 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2182 -0.1187 -0.1713 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0679 -1.0312 0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7386 -0.4451 -0.3185 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 -1.4340 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7172 -1.0289 -0.3308 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0541 0.2584 0.3352 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6838 0.8356 -0.0547 S 0 0 0 0 0 6 0 0 0 0 0 0 3.9269 0.9282 -1.5080 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6759 -0.1736 0.5062 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0088 2.2889 0.7229 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0824 1.7395 0.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3523 1.8943 -0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9388 1.1751 1.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1304 -0.5816 0.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3715 -0.0102 -1.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2813 -2.0070 -0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0372 -1.2216 1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5768 0.4727 0.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7662 -0.1864 -1.3758 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2371 -1.5855 1.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0368 -2.4245 -0.3775 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3856 -1.8664 -0.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7241 -0.9544 -1.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9316 0.1630 1.4152 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3450 1.0309 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5943 3.0401 0.2239 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 2 0 8 10 2 0 8 11 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 4 20 1 0 5 21 1 0 5 22 1 0 6 23 1 0 6 24 1 0 7 25 1 0 7 26 1 0 11 27 1 0 M END