HMDB0039643 RDKit 3D 11,12,13-Trinor-1,3,5-bisabolatrien-10-oic acid 30 30 0 0 0 0 0 0 0 0999 V2000 -4.6846 0.6655 -0.1039 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2424 0.2643 0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8006 -0.8315 -0.6904 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4594 -1.1995 -0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6198 -0.4632 0.2204 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8062 -0.8472 0.3432 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0433 -1.1303 1.8319 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6578 0.3575 -0.0539 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0890 -0.0523 0.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0299 1.0395 -0.2828 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5574 2.1303 -0.6396 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 0.8876 -0.2361 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0733 0.6308 0.9165 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3921 0.9833 0.8009 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2231 -0.0312 -0.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7005 1.7122 -0.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1244 0.5941 0.9155 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4400 -1.4293 -1.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1142 -2.0751 -1.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0646 -1.7332 -0.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 -1.5239 2.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2356 -0.1525 2.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9056 -1.7786 1.9791 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4176 1.1916 0.6349 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3857 0.6593 -1.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2491 -0.9684 -0.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2740 -0.2832 1.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8315 0.3126 0.4787 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4148 1.2283 1.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7754 1.8427 1.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 5 13 1 0 13 14 2 0 14 2 1 0 1 15 1 0 1 16 1 0 1 17 1 0 3 18 1 0 4 19 1 0 6 20 1 0 7 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 13 29 1 0 14 30 1 0 M END