Mol:FL2FACNP0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 31 0 0 0 0 0 0 0 0999 V2000 -2.0818 -1.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5609 -1.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0401 -1.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0401 -0.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5609 -0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0818 -0.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5192 -1.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0017 -1.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0017 -0.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5192 -0.3315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5221 -0.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5192 -2.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0564 -0.6403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5908 -0.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5908 0.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0564 0.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5221 0.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6022 -0.3318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5609 -2.1353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1252 0.5938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1252 1.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5908 1.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0564 1.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 1.5188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5908 2.1353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4286 1.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6022 1.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1243 -0.6398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 4 1 0 0 0 0 9 11 1 0 0 0 0 7 12 2 0 0 0 0 11 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 11 1 0 0 0 0 6 18 1 0 0 0 0 2 19 1 0 0 0 0 15 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 16 1 0 0 0 0 23 24 1 0 0 0 0 22 25 1 0 0 0 0 21 26 1 0 0 0 0 21 27 1 0 0 0 0 14 28 1 0 0 0 0 S SKP 8 ID FL2FACNP0007 KNApSAcK_ID C00008516 NAME Sigmoidin G CAS_RN 151590-50-0 FORMULA C20H20O8 EXACTMASS 388.11581761599996 AVERAGEMASS 388.368 SMILES O(C4(C)C)c(c(O)1)c(C(C4O)O)cc(C(C2)Oc(c3)c(c(cc(O)3)O)C(=O)2)c1 M END