Mol:FLID2ANS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 27 0 0 0 0 0 0 0 0999 V2000 -1.3679 0.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3679 0.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8674 0.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 0.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 0.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8674 1.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1335 0.0073 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6339 0.2963 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6339 0.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1335 1.1631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2536 -0.5579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8283 -0.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0634 -0.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 -1.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7427 -1.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9777 -0.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6381 -0.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0823 -1.4929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4281 -0.3168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2336 0.6425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0823 0.4200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0676 0.5906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7251 1.4929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2251 2.3589 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 12 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 13 1 0 0 0 0 18 15 1 0 0 0 0 7 19 1 6 0 0 0 8 20 1 6 0 0 0 2 21 1 0 0 0 0 21 22 1 0 0 0 0 1 23 1 0 0 0 0 23 24 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 23 24 M SBL 2 1 26 M SMT 2 OCH3 M SVB 2 26 -1.7251 1.4929 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 21 22 M SBL 1 1 24 M SMT 1 OCH3 M SVB 1 24 -2.0823 0.42 S SKP 8 ID FLID2ANS0001 KNApSAcK_ID C00002574 NAME (-)-Sparticarpin CAS_RN 73793-85-8 FORMULA C17H16O5 EXACTMASS 300.099773622 AVERAGEMASS 300.30593999999996 SMILES COc(c4)c(OC)cc(c34)[C@]([H])(O1)[C@@]([H])(CO3)c(c2)c(cc(O)c2)1 M END