Mol:FL2FA9GM0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -0.3266 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1943 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7151 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7151 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1943 0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3266 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7569 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7569 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 0.4447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 -1.2822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1943 -1.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 0.4365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3366 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8653 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3941 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3941 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8653 1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3366 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2005 -0.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8543 -0.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3557 -0.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8360 -0.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2242 0.0882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7335 -0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0862 0.4231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3941 -0.4868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0700 -0.7462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8470 -0.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4333 0.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7188 0.0787 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 7 11 2 0 0 0 0 2 12 1 0 0 0 0 6 13 1 0 0 0 0 9 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 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 13 1 0 0 0 0 1 29 1 0 0 0 0 25 30 1 0 0 0 0 30 31 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 33 M SMT 1 CH2OH M SBV 1 33 -6.3805 4.3779 S SKP 8 ID FL2FA9GM0001 KNApSAcK_ID C00008418 NAME Strobopinin 7-galactoside CAS_RN 129601-82-7 FORMULA C22H24O9 EXACTMASS 432.14203236599997 AVERAGEMASS 432.42056 SMILES O=C(c42)CC(Oc(cc(c(c(O)4)C)OC(C(O)3)OC(CO)C(C3O)O)2)c(c1)cccc1 M END