Mol:FL5FFCGS0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -2.1531 0.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1531 -0.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5968 -0.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0405 -0.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0405 0.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5968 0.8588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4842 -0.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0721 -0.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0721 0.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4842 0.8588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4842 -0.9268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6282 0.8587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1952 0.5313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7621 0.8587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7621 1.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1952 1.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6282 1.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5968 -1.0681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6282 -0.4258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1952 2.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3463 1.8322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5968 1.5009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4612 -1.5668 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0895 -1.9295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8901 -1.2320 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0895 -0.5303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4612 -0.1675 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6605 -0.8651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4309 -0.8651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6226 -2.1690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9379 -2.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5103 -1.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5103 1.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0102 2.0225 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 8 19 1 0 0 0 0 16 20 1 0 0 0 0 15 21 1 0 0 0 0 6 22 1 0 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 27 1 0 0 0 0 27 28 1 1 0 0 0 28 23 1 1 0 0 0 28 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 25 32 1 0 0 0 0 27 19 1 0 0 0 0 1 33 1 0 0 0 0 33 34 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 33 34 M SBL 1 1 36 M SMT 1 OCH3 M SVB 1 36 -2.5103 1.1564 S SKP 8 ID FL5FFCGS0010 KNApSAcK_ID C00005699 NAME Ranupenin 3-rhamnoside CAS_RN 56768-33-3 FORMULA C22H22O12 EXACTMASS 478.111126168 AVERAGEMASS 478.40288000000004 SMILES O[C@H]([C@H]1OC(C(=O)3)=C(Oc(c4O)c(c(O)cc4OC)3)c(c2)cc(c(O)c2)O)[C@@H]([C@H](O)C(C)O1)O M END