Mol:FL5FAAGS0066
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 52 57 0 0 0 0 0 0 0 0999 V2000 -4.3523 0.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3523 0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6513 -0.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9502 0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9502 0.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6513 1.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2492 -0.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5482 0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5482 0.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2492 1.3746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2492 -0.8755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6656 1.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0489 1.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7634 1.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7634 2.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0489 2.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6656 2.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6513 -1.0535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5281 2.7969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0008 1.3959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7551 -0.2975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9198 -2.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2452 -2.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4593 -2.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2452 -1.2919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9198 -0.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7059 -1.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1215 -1.6514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8258 -3.1098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 -3.4564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0226 -2.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8583 -1.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8377 -0.4811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5353 -1.5319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2402 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9435 -1.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9434 -2.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6643 -2.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3852 -2.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3853 -1.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6644 -1.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1056 -2.7213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2935 2.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8239 2.9360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7271 2.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6358 2.9360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1056 2.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2023 2.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2297 3.4564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2957 3.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4698 2.3894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1924 2.8834 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 4 3 1 0 0 0 0 1 20 1 0 0 0 0 21 8 1 0 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 1 0 0 0 27 22 1 1 0 0 0 27 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 26 21 1 0 0 0 0 33 32 2 0 0 0 0 32 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 36 1 0 0 0 0 39 42 1 0 0 0 0 28 32 1 0 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 1 0 0 0 43 48 1 1 0 0 0 20 47 1 0 0 0 0 48 49 1 0 0 0 0 45 50 1 0 0 0 0 43 51 1 0 0 0 0 44 52 1 0 0 0 0 S SKP 5 ID FL5FAAGS0066 FORMULA C36H36O16 EXACTMASS 724.200335104 AVERAGEMASS 724.66144 SMILES c(c1O)cc(C=CC(=O)OC(C(OC(=C(c(c6)ccc(O)c6)3)C(=O)c(c(O)4)c(cc(OC(C5O)OC(C(C5O)O)C)c4)O3)2)C(C(C(C)O2)O)O)cc1 M END