Mol:FL1C29NP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 2.0245 0.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0245 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5808 -0.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1371 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1371 0.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5808 0.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7675 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3238 -0.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2114 -0.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3495 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2114 -1.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3495 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9022 0.6468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4548 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4548 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9022 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9022 -1.2676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0074 0.6468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5601 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5601 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0074 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9965 0.7642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1371 0.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9022 1.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 2 8 1 0 0 0 0 10 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 10 1 0 0 0 0 17 16 1 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 15 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 13 24 1 0 0 0 0 S SKP 8 ID FL1C29NP0001 KNApSAcK_ID C00007077 NAME Flemichapparin A CAS_RN 32507-61-2,30880-56-9 FORMULA C20H18O4 EXACTMASS 322.120509064 AVERAGEMASS 322.35452 SMILES c(c3)ccc(c3)C=CC(c(c(O)2)cc(O)c(c21)OC(C=C1)(C)C)=O M END