Mol:FL3FAACS0065
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 -0.5802 1.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0864 1.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0864 2.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5802 2.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2468 2.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2468 1.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7529 1.0973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4195 1.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4195 2.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7529 2.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0579 1.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0579 0.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6907 0.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3234 0.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3234 1.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6907 1.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7580 0.1320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7529 3.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5802 3.0965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7745 1.1775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2561 0.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7163 -0.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9720 0.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1502 0.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6900 0.6870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4344 0.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7580 -0.0976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3309 -0.0549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6563 -0.4105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7573 0.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1576 1.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2829 -2.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8986 -2.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6672 -1.9701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0646 -1.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4488 -0.6766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6803 -1.4685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7683 -3.0965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0428 -0.8480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3047 -2.5898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6913 -2.7405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 -2.1973 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 2 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 3 1 0 0 0 0 8 11 1 0 0 0 0 11 12 2 0 0 0 0 12 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 11 1 0 0 0 0 14 17 1 0 0 0 0 10 18 2 0 0 0 0 4 19 1 0 0 0 0 6 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 1 24 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 26 30 1 0 0 0 0 30 31 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 1 0 0 0 35 34 1 1 0 0 0 36 35 1 1 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 33 38 1 0 0 0 0 35 39 1 0 0 0 0 32 40 1 0 0 0 0 40 41 1 0 0 0 0 36 29 1 0 0 0 0 34 42 1 0 0 0 0 S SKP 8 ID FL3FAACS0065 KNApSAcK_ID C00011123 NAME 2''-O-beta-L-galactopyranosylvitexin CAS_RN 861691-35-2 FORMULA C27H30O15 EXACTMASS 594.15847029 AVERAGEMASS 594.5181 SMILES c(c3O)c(O)c(C(O4)C(OC(C(O)5)OC(CO)C(C(O)5)O)C(O)C(C4CO)O)c(c31)OC(c(c2)ccc(O)c2)=CC1=O M END