Mol:FL2FADGS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -0.4795 -0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0414 -1.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5623 -0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5623 -0.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0414 0.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4795 -0.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0832 -1.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6041 -0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6041 -0.1386 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0832 0.1621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0832 -1.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0414 -1.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9862 0.1539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1838 0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7125 -0.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2412 0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2412 0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7125 1.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1838 0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2412 0.7713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3852 -0.3672 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0411 -0.8214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5456 -0.6287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0674 -0.6235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4149 -0.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9210 -0.4578 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8276 -0.3285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3659 -1.2489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2616 -1.1053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9768 1.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4005 2.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 0.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0677 0.4439 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 3 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 4 1 0 0 0 0 7 11 2 0 0 0 0 2 12 1 0 0 0 0 6 13 1 0 0 0 0 9 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 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 17 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 13 1 0 0 0 0 18 30 1 0 0 0 0 30 31 1 0 0 0 0 26 32 1 0 0 0 0 32 33 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 32 33 M SBL 2 1 35 M SMT 2 CH2OH M SVB 2 35 -3.1 0.1919 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 33 M SMT 1 OCH3 M SVB 1 33 2.9768 1.6417 S SKP 8 ID FL2FADGS0002 KNApSAcK_ID C00008441 NAME Viscumiside A CAS_RN 14982-11-7 FORMULA C22H24O11 EXACTMASS 464.13186161 AVERAGEMASS 464.41936000000004 SMILES [C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c4)cc(c(c4O)2)OC(c(c3)cc(c(c3)O)OC)CC2=O)CO)O)O M END