Mol:FL1CA9NM0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 21 22 0 0 0 0 0 0 0 0999 V2000 -1.9517 0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9517 -0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3953 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8390 -0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8390 0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3953 0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2827 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2736 -0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8297 -0.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3857 -0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9467 -0.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5077 -0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5077 0.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9467 0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3857 0.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2827 -1.1782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3953 1.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5077 0.6077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2830 0.6077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8318 -0.8374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1173 -1.2499 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 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 6 17 1 0 0 0 0 1 18 1 0 0 0 0 5 19 1 0 0 0 0 3 20 1 0 0 0 0 20 21 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 20 21 M SBL 1 1 21 M SMT 1 OCH3 M SBV 1 21 -6.0139 3.4055 S SKP 8 ID FL1CA9NM0003 KNApSAcK_ID C00007042 NAME Stercurensin CAS_RN 94388-75-7 FORMULA C17H16O4 EXACTMASS 284.104859 AVERAGEMASS 284.30654 SMILES COc(c1)c(C(=O)C=Cc(c2)cccc2)c(O)c(C)c(O)1 M END