Mol:FL2FACNP0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -2.4814 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9605 -1.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4396 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4396 -0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9605 -0.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4814 -0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9188 -1.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3979 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3979 -0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9188 -0.3270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1225 -0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9188 -2.0539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6569 -0.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1912 -0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1912 0.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6569 0.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1225 0.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0023 -0.3270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9605 -2.1308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7256 -0.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2599 -0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2599 0.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7256 0.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 0.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 1.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9421 1.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4720 1.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9421 2.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8529 0.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0023 0.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6569 1.2142 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 14 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 15 1 0 0 0 0 17 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 22 29 1 0 0 0 0 22 30 1 0 0 0 0 16 31 1 0 0 0 0 S SKP 8 ID FL2FACNP0004 KNApSAcK_ID C00008465 NAME Sigmoidin F CAS_RN 126005-97-8 FORMULA C25H26O6 EXACTMASS 422.172938564 AVERAGEMASS 422.47033999999996 SMILES c(c41)(OC(C=C4)(C)C)c(c(CC=C(C)C)c(C(C2)Oc(c3)c(c(cc3O)O)C2=O)c1)O M END