Mol:FL1C2CGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 34 0 0 0 0 0 0 0 0999 V2000 -1.0336 0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0336 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4796 -0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0744 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0744 0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4796 0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6281 -0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1806 -0.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7319 -0.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2821 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8205 -0.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3588 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3588 0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8205 0.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2821 0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6281 -1.2775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4796 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5874 0.6395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8971 0.6112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8971 -0.6320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5099 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1637 -0.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6651 0.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1455 0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5336 0.4936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0429 0.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8971 0.1783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7035 -0.0815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3794 -0.3409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4796 1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0900 0.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8868 0.9227 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 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 11 2 0 0 0 0 11 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 10 1 0 0 0 0 7 16 2 0 0 0 0 3 17 1 0 0 0 0 1 18 1 0 0 0 0 13 19 1 0 0 0 0 12 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 24 18 1 0 0 0 0 6 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 33 M SMT 1 ^CH2OH M SBV 1 33 -5.3872 3.5027 S SKP 8 ID FL1C2CGS0001 KNApSAcK_ID C00007913 NAME Stillopsin CAS_RN 72241-26-0 FORMULA C21H22O11 EXACTMASS 450.116211546 AVERAGEMASS 450.39278 SMILES c(c1)(OC(O3)C(O)C(O)C(O)C3CO)c(O)cc(C(=O)C=Cc(c2)cc(c(O)c2)O)c(O)1 M END