Mol:FL5FAGGA0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 54 59 0 0 0 0 0 0 0 0999 V2000 -1.8384 1.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8384 0.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1372 -0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4359 0.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4359 1.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1372 1.4133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2653 -0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9665 0.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9665 1.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2653 1.4133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2653 -0.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6675 1.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3822 1.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0969 1.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0969 2.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3822 2.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6675 2.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5393 1.4131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4634 -0.2915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1372 -1.0156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1684 -2.3968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7452 -3.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5589 -2.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3776 -3.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8009 -2.3968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9871 -2.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 -2.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7382 -0.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1398 -0.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9860 -0.6442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7165 -1.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3150 -0.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4688 -0.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0703 -0.0405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8822 -0.1888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3032 0.2764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4581 -1.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6886 -1.6038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1570 -2.8658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0059 -3.4871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3776 -3.8437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8959 2.6997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3822 3.4759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8113 1.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1127 1.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3207 1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5720 2.0187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3207 2.9032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1127 3.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8614 2.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7505 3.8437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3207 3.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5105 2.9801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8009 1.5604 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 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 1 18 1 0 0 0 0 8 19 1 0 0 0 0 3 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 1 0 0 0 30 31 1 1 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 28 1 0 0 0 0 28 34 1 0 0 0 0 33 35 1 0 0 0 0 32 36 1 0 0 0 0 31 37 1 0 0 0 0 25 38 1 0 0 0 0 37 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 29 19 1 0 0 0 0 42 15 1 0 0 0 0 16 43 1 0 0 0 0 14 44 1 0 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 1 0 0 0 50 45 1 1 0 0 0 49 51 1 0 0 0 0 48 52 1 0 0 0 0 50 53 1 0 0 0 0 45 54 1 0 0 0 0 46 18 1 0 0 0 0 S SKP 5 ID FL5FAGGA0005 FORMULA C33H40O21 EXACTMASS 772.206208342 AVERAGEMASS 772.6581 SMILES O=C(C(OC(C5O)OC(COC(C6O)OC(C(C6O)O)C)C(O)C5O)=3)c(c1OC3c(c4)cc(O)c(c(O)4)O)c(cc(OC(C(O)2)OC(C)C(C2O)O)c1)O M END