2,15,17-tridecarboxy-neobetanin Mrv2104 06072104222D 30 33 0 0 1 0 999 V2000 20.7424 -15.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4564 -15.5138 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4518 -14.6912 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.7348 -14.2799 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0208 -14.6974 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.0237 -15.5263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1137 -22.5456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8392 -22.9770 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5388 -22.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5421 -21.7252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8280 -21.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1107 -21.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8298 -20.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4123 -19.8941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4081 -19.0673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.9855 -17.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7675 -18.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8124 -17.7892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0664 -18.5715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8666 -18.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4184 -18.1325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1642 -17.3502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3584 -17.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2434 -18.1320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7466 -16.7581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1705 -15.9272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7298 -13.4509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3017 -14.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1621 -14.2736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2975 -13.4551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7 12 2 0 0 0 0 14 15 1 0 0 0 0 15 19 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 18 16 1 0 0 0 0 16 17 1 0 0 0 0 17 15 1 0 0 0 0 18 19 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 25 1 1 6 0 0 0 2 3 1 0 0 0 0 2 26 1 1 0 0 0 4 27 1 1 0 0 0 3 4 1 0 0 0 0 5 28 1 6 0 0 0 11 13 1 0 0 0 0 3 29 1 6 0 0 0 4 5 1 0 0 0 0 28 30 1 0 0 0 0 13 14 2 0 0 0 0 M END