KEGG:C08623 alpha-Elemolic acid ISISHOST03240423202D 1 1.00000 0.00000 7663 36 39 0 0 0 999 V2000 0.4276 -0.4276 0.0000 C 0 0 2 0 0 0 0 0 0 -0.2759 -0.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0.4345 0.3793 0.0000 C 0 0 2 0 0 0 0 0 0 1.8310 -0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0.4207 -1.2414 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9759 -0.4172 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2759 -1.6379 0.0000 C 0 0 0 0 0 0 0 0 0 1.1379 0.7828 0.0000 C 0 0 1 0 0 0 0 0 0 -0.2621 0.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0.4276 1.1931 0.0000 C 0 0 0 0 0 0 0 0 0 1.8345 0.3724 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6793 -0.8207 0.0000 C 0 0 2 0 0 0 0 0 0 -0.9690 0.3931 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9828 -2.0414 0.0000 C 0 0 0 0 0 0 0 0 0 1.1345 1.5931 0.0000 C 0 0 2 0 0 0 0 0 0 -1.6828 -1.6310 0.0000 C 0 0 1 0 0 0 0 0 0 -2.3828 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6862 -0.0069 0.0000 C 0 0 0 0 0 0 0 0 0 1.8276 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0.4241 1.9931 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3828 -2.0414 0.0000 C 0 0 3 0 0 0 0 0 0 -3.0862 -0.8207 0.0000 C 0 0 0 0 0 0 0 0 0 2.5345 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2793 1.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0.4207 2.8103 0.0000 O 0 0 0 0 0 0 0 0 0 -3.0862 -1.6310 0.0000 C 0 0 1 0 0 0 0 0 0 -1.9828 -2.7414 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7966 -2.7414 0.0000 C 0 0 0 0 0 0 0 0 0 3.2345 2.0035 0.0000 C 0 0 0 0 0 0 0 0 0 -3.7931 -2.0345 0.0000 O 0 0 0 0 0 0 0 0 0 3.9345 1.6035 0.0000 C 0 0 0 0 0 0 0 0 0 4.6379 2.0069 0.0000 C 0 0 0 0 0 0 0 0 0 3.9345 0.7897 0.0000 C 0 0 0 0 0 0 0 0 0 1.9172 1.0138 0.0000 H 0 0 0 0 0 0 0 0 0 1.1276 2.4069 0.0000 H 0 0 0 0 0 0 0 0 0 -1.6931 -2.4414 0.0000 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 1 0 0 2 6 2 0 0 0 2 7 1 0 0 0 3 8 1 0 0 0 3 9 1 0 0 0 3 10 1 6 0 0 4 11 1 0 0 0 6 12 1 0 0 0 6 13 1 0 0 0 7 14 1 0 0 0 8 15 1 0 0 0 12 16 1 0 0 0 12 17 1 0 0 0 12 18 1 1 0 0 15 19 1 0 0 0 15 20 1 1 0 0 16 21 1 0 0 0 17 22 1 0 0 0 19 23 1 0 0 0 20 24 1 0 0 0 20 25 2 0 0 0 21 26 1 0 0 0 21 27 1 0 0 0 21 28 1 0 0 0 23 29 1 0 0 0 26 30 1 6 0 0 29 31 2 0 0 0 31 32 1 0 0 0 31 33 1 0 0 0 8 11 1 0 0 0 9 13 1 0 0 0 14 16 1 0 0 0 22 26 1 0 0 0 8 34 1 1 0 0 15 35 1 6 0 0 16 36 1 6 0 0 M END