Mol:FL2FACGS0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 50 53 0 0 0 0 0 0 0 0999 V2000 -0.7528 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2319 -1.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 -0.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2319 -0.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7528 -0.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8098 -1.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3307 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3307 -0.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8098 -0.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8098 -2.0913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2319 -2.1683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9104 -0.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4391 -0.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9679 -0.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9679 0.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4391 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9104 0.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2555 -0.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9092 -0.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4106 -0.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8910 -0.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2791 -0.2465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7884 -0.4294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6426 -0.5618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4490 -0.8216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1250 -1.0810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0239 -0.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2860 -0.3574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2968 -1.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7386 -1.7222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0965 -2.0690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8643 -1.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3061 -1.3922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6640 -1.7390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0239 0.6358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4080 1.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9353 1.0200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1065 1.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1399 -0.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9944 0.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7186 -0.0645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4391 1.1473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7627 1.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4968 2.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2015 1.7077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4955 0.5494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1586 0.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1586 -0.1529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7186 0.6950 0.0000 C 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 9 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 1 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 24 28 1 0 0 0 0 6 29 1 0 0 0 0 29 22 1 0 0 0 0 27 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 26 33 1 0 0 0 0 28 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 25 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 2 0 0 0 0 17 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 44 46 2 0 0 0 0 16 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 48 50 1 0 0 0 0 S SKP 8 ID FL2FACGS0011 KNApSAcK_ID C00008526 NAME Hexaacetylpyracanthoside CAS_RN 138989-34-1 FORMULA C33H34O17 EXACTMASS 702.179599662 AVERAGEMASS 702.61286 SMILES C(C1OC(C)=O)(COC(C)=O)OC(Oc(c4)cc(c3c4O)OC(CC(=O)3)c(c2)cc(c(c2)OC(C)=O)OC(C)=O)C(OC(C)=O)C1OC(C)=O M END