Mol:FL2FACCS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -2.0227 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0227 -1.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4664 -1.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9101 -1.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9101 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4664 -0.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3538 -1.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2025 -1.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2025 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3538 -0.5145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3538 -2.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5788 -0.5147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4664 -2.4414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8205 -0.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4067 -0.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9929 -0.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9929 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4067 0.5213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8205 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5788 0.5211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1179 1.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7234 1.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4665 0.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4597 0.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9963 0.5256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3014 1.1036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2845 2.4414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7583 2.0757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 0.3214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4067 1.1978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7957 1.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0812 0.9831 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 4 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 5 1 0 0 0 0 7 11 2 0 0 0 0 1 12 1 0 0 0 0 3 13 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 14 9 1 0 0 0 0 17 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 6 24 1 0 0 0 0 18 30 1 0 0 0 0 26 31 1 0 0 0 0 31 32 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 34 M SMT 1 CH2OH M SBV 1 34 -7.1641 5.7675 S SKP 8 ID FL2FACCS0001 KNApSAcK_ID C00006362 NAME 8-C-Glucopyranosyleriodictylol CAS_RN 153733-96-1 FORMULA C21H22O11 EXACTMASS 450.116211546 AVERAGEMASS 450.39278 SMILES C(C(O)1)(c(c(O)4)c(O2)c(c(O)c4)C(=O)CC2c(c3)cc(c(O)c3)O)OC(CO)C(O)C1O M END