KEGG:C09798 Scandoside methyl ester ISISHOST03240423232D 1 1.00000 0.00000 8840 30 32 0 1 0 999 V2000 2.5328 -11.9323 0.0000 C 0 0 0 0 0 0 0 0 0 3.2389 -11.5240 0.0000 C 0 0 0 0 0 0 0 0 0 1.8267 -11.5240 0.0000 O 0 0 0 0 0 0 0 0 0 4.0245 -11.2764 0.0000 C 0 0 2 0 0 0 0 0 0 4.0245 -10.4538 0.0000 C 0 0 1 0 0 0 0 0 0 4.7299 -11.6826 0.0000 C 0 0 1 0 0 0 0 0 0 4.7367 -10.0475 0.0000 C 0 0 0 0 0 0 0 0 0 3.2389 -10.1951 0.0000 C 0 0 1 0 0 0 0 0 0 5.4353 -11.2799 0.0000 O 0 0 0 0 0 0 0 0 0 2.7576 -10.8599 0.0000 C 0 0 0 0 0 0 0 0 0 5.4388 -10.4607 0.0000 C 0 0 0 0 0 0 0 0 0 4.7367 -9.2249 0.0000 C 0 0 0 0 0 0 0 0 0 2.6645 -9.6172 0.0000 O 0 0 0 0 0 0 0 0 0 5.4422 -8.8186 0.0000 O 0 0 0 0 0 0 0 0 0 4.0279 -8.8186 0.0000 O 0 0 0 0 0 0 0 0 0 6.1477 -9.2214 0.0000 C 0 0 0 0 0 0 0 0 0 4.0210 -12.0922 0.0000 H 0 0 0 0 0 0 0 0 0 4.0210 -9.6345 0.0000 H 0 0 0 0 0 0 0 0 0 4.7201 -12.6367 0.0000 O 0 0 0 0 0 0 0 0 0 3.8507 -13.1237 0.0000 C 0 0 2 0 0 0 0 0 0 3.1456 -12.7085 0.0000 O 0 0 0 0 0 0 0 0 0 3.8458 -13.9464 0.0000 C 0 0 1 0 0 0 0 0 0 2.4283 -13.1144 0.0000 C 0 0 1 0 0 0 0 0 0 3.1298 -14.3504 0.0000 C 0 0 2 0 0 0 0 0 0 4.5540 -14.3632 0.0000 O 0 0 0 0 0 0 0 0 0 2.4204 -13.9354 0.0000 C 0 0 2 0 0 0 0 0 0 1.7232 -12.6993 0.0000 C 0 0 0 0 0 0 0 0 0 3.1249 -15.1731 0.0000 O 0 0 0 0 0 0 0 0 0 1.7073 -14.3411 0.0000 O 0 0 0 0 0 0 0 0 0 1.0139 -13.1021 0.0000 O 0 0 0 0 0 0 0 0 0 8 13 1 1 0 0 12 14 1 0 0 0 12 15 2 0 0 0 14 16 1 0 0 0 8 10 1 0 0 0 9 11 1 0 0 0 4 17 1 1 0 0 5 18 1 1 0 0 1 2 1 0 0 0 6 19 1 1 0 0 1 3 1 0 0 0 4 5 1 0 0 0 4 6 1 0 0 0 4 2 1 0 0 0 5 7 1 0 0 0 5 8 1 0 0 0 6 9 1 0 0 0 2 10 2 0 0 0 7 11 2 0 0 0 20 19 1 1 0 0 20 21 1 0 0 0 20 22 1 0 0 0 21 23 1 0 0 0 22 24 1 0 0 0 22 25 1 6 0 0 23 26 1 0 0 0 23 27 1 1 0 0 24 28 1 1 0 0 26 29 1 6 0 0 24 26 1 0 0 0 7 12 1 0 0 0 27 30 1 0 0 0 M END