Mol:FL3FGGNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 30 0 0 0 0 0 0 0 0999 V2000 -2.0211 -1.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2408 -1.3502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8734 -1.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2863 -1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0666 -2.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4340 -2.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9189 -1.6192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3318 -2.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1121 -2.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4795 -2.8265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0902 -1.1486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5249 -3.2068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1695 -3.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5904 -3.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3665 -4.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7217 -4.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3009 -3.8220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0930 -0.6353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3887 -2.0654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5663 -4.7504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5213 -1.3163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2966 -1.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5752 -3.4209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5600 -3.2473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7871 -4.7113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5996 -4.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4992 -3.0795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6017 -4.0743 0.0000 C 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 2 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 9 12 1 0 0 0 0 12 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 12 1 0 0 0 0 3 18 1 0 0 0 0 1 19 1 0 0 0 0 16 20 1 0 0 0 0 2 21 1 0 0 0 0 21 22 1 0 0 0 0 14 23 1 0 0 0 0 23 24 1 0 0 0 0 15 25 1 0 0 0 0 25 26 1 0 0 0 0 6 27 1 0 0 0 0 27 28 1 0 0 0 0 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 27 28 M SBL 4 1 29 M SMT 4 OCH3 M SVB 4 29 -1.4067 0.8184 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 25 26 M SBL 3 1 27 M SMT 3 OCH3 M SVB 3 27 2.241 1.2272 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 23 24 M SBL 2 1 25 M SMT 2 OCH3 M SVB 2 25 1.8838 0.039 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 21 22 M SBL 1 1 23 M SMT 1 OCH3 M SVB 1 23 -2.9555 -0.6267 S SKP 8 ID FL3FGGNS0002 KNApSAcK_ID C00003971 NAME Scaposin CAS_RN 18398-74-8 FORMULA C19H18O9 EXACTMASS 390.095082174 AVERAGEMASS 390.34082 SMILES c(c(OC)1)(OC)cc(C(O2)=CC(c(c3O)c2c(c(c3OC)O)OC)=O)cc1O M END
