Mol:FL5FAAGL0076
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 60 65 0 0 0 0 0 0 0 0999 V2000 -3.3886 3.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3886 2.8633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6741 2.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9597 2.8633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9597 3.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6741 4.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2452 2.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5308 2.8633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5308 3.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2452 4.1007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2452 1.8074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3689 4.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0971 3.8391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8253 4.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8253 5.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0971 5.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3689 5.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6741 1.6261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8445 5.5874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0242 4.1007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5558 1.9973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6505 -3.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1125 -3.9971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2679 -3.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7271 -3.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5806 -3.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9543 -3.3451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7019 -3.3451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0757 -3.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7019 -4.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9543 -4.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8226 -3.9924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3766 0.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4832 1.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7668 0.2025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4832 -0.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3766 -1.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0933 -0.3193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 1.6366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8435 -0.7502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1618 -1.9124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5514 -1.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1356 -2.7120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5619 2.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3681 3.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1281 2.2504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7287 -0.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5236 0.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3190 -0.5799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0611 -2.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7783 -2.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3984 -2.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3984 -3.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7724 -3.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7724 -4.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3984 -4.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0242 -4.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0242 -3.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3984 -5.5874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0611 -2.9428 0.0000 O 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 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 19 15 1 0 0 0 0 20 1 1 0 0 0 0 21 8 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 29 32 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 1 0 0 0 35 36 1 1 0 0 0 37 36 1 1 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 33 39 1 0 0 0 0 38 40 1 0 0 0 0 37 41 1 0 0 0 0 36 42 1 0 0 0 0 34 21 1 0 0 0 0 22 43 1 0 0 0 0 43 42 1 0 0 0 0 4 3 1 0 0 0 0 39 44 1 0 0 0 0 44 45 1 0 0 0 0 44 46 2 0 0 0 0 40 47 1 0 0 0 0 47 48 1 0 0 0 0 47 49 2 0 0 0 0 41 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 54 55 1 0 0 0 0 55 56 2 0 0 0 0 56 57 1 0 0 0 0 57 58 2 0 0 0 0 58 53 1 0 0 0 0 56 59 1 0 0 0 0 50 60 2 0 0 0 0 S SKP 5 ID FL5FAAGL0076 FORMULA C43H36O17 EXACTMASS 824.1952497259999 AVERAGEMASS 824.7357400000001 SMILES C(C1OC(C=Cc(c6)ccc(c6)O)=O)(COC(C=Cc(c5)ccc(O)c5)=O)OC(OC(=C(c(c4)ccc(c4)O)2)C(c(c(O)3)c(cc(O)c3)O2)=O)C(OC(C)=O)C(OC(=O)C)1 M END