Mol:FLIFHXNP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 35 0 0 0 0 0 0 0 0999 V2000 -1.5324 0.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5324 -0.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0666 -0.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6008 -0.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6008 0.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0666 0.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1350 -0.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3307 -0.1015 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3307 0.4364 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1350 0.7053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7965 -0.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2623 -0.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7965 -0.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2623 -1.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7281 -0.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7281 -0.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3307 -0.9256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0666 1.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5126 1.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9586 1.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9586 0.7053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2494 1.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5509 1.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2623 0.4364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7965 0.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3307 1.2237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1350 -0.8630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7281 -0.9082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7281 -0.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8826 -1.5024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7045 -1.5745 0.0000 C 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 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 8 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 12 1 0 0 0 0 8 17 1 1 0 0 0 6 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 1 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 12 24 1 0 0 0 0 24 25 1 0 0 0 0 25 9 1 0 0 0 0 9 26 1 1 0 0 0 7 27 2 0 0 0 0 15 28 1 0 0 0 0 28 29 1 0 0 0 0 14 30 1 0 0 0 0 30 31 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 30 31 M SBL 2 1 34 M SMT 2 OCH3 M SVB 2 34 0.7806 -1.3116 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 28 29 M SBL 1 1 32 M SMT 1 OCH3 M SVB 1 32 1.8364 -1.1145 S SKP 8 ID FLIFHXNP0001 KNApSAcK_ID C00002578 NAME Tephrosin CAS_RN 76-80-2 FORMULA C23H22O7 EXACTMASS 410.136553058 AVERAGEMASS 410.41658000000007 SMILES c(c21)([C@](O)(C3=O)[C@](Oc(c54)c(ccc4OC(C=C5)(C)C)3)(CO2)[H])cc(c(OC)c1)OC M END