Mol:FL2FA9GM0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -0.1435 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3773 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8982 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8982 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3773 0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4191 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9400 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9400 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4191 0.4447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4191 -1.2822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3773 -1.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6503 0.4365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5197 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0484 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5771 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5771 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0484 1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5197 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0175 -0.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6712 -0.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1726 -0.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6530 -0.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0411 0.0882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5504 -0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5771 -0.1535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2110 -0.4868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8869 -0.7462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6639 -0.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2502 0.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5357 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 -6.1974 4.3779 S SKP 8 ID FL2FA9GM0002 KNApSAcK_ID C00008419 NAME Strobopinin 7-glucoside CAS_RN 107140-40-9 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