Mol:FL3FACGS0084
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 57 62 0 0 0 0 0 0 0 0999 V2000 5.1047 1.5874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1047 0.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8191 0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5336 0.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5336 1.5874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8191 1.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3902 0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6757 0.7624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9613 0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9613 -0.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6757 -0.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3902 -0.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2468 0.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5323 0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5323 -0.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2468 -0.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6757 -1.6059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8179 0.7624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2468 -1.5736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2392 1.9889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1081 0.4307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 0.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3875 0.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5894 0.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2038 0.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2087 0.8662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0068 0.6572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1637 1.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6434 1.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2831 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8361 0.4283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7609 -0.2613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3675 -0.3867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9550 -1.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1569 -0.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3637 -1.1188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7762 -0.4043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5743 -0.6133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7312 -0.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2109 0.2493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8506 -0.8697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4036 -0.8422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3284 -1.5318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1478 -0.8331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7353 -1.5476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9372 -1.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1440 -1.5653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5564 -0.8507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3546 -1.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5405 -0.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0832 -0.0525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5655 -1.2508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9964 -1.9999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7839 -1.9106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6603 0.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6603 0.9562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2392 -0.0535 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 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 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 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 16 19 1 0 0 0 0 5 20 1 0 0 0 0 4 21 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 27 1 0 0 0 0 27 22 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 25 18 1 0 0 0 0 33 34 1 1 0 0 0 34 35 1 1 0 0 0 36 35 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 33 41 1 0 0 0 0 34 42 1 0 0 0 0 35 43 1 0 0 0 0 36 32 1 0 0 0 0 44 45 1 1 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 44 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 44 52 1 0 0 0 0 45 53 1 0 0 0 0 46 54 1 0 0 0 0 51 55 1 0 0 0 0 55 56 2 0 0 0 0 55 57 1 0 0 0 0 47 42 1 0 0 0 0 S SKP 8 ID FL3FACGS0084 KNApSAcK_ID C00013669 NAME Luteorin 7-(6''''-acetylallosyl-(1->3)-glucosyl-(1->2)-glucoside;Veronicoside A;7-[(O-6-O-Acetyl-beta-D-allopyranosyl-(1->3)-O-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one CAS_RN 173792-54-6 FORMULA C35H42O22 EXACTMASS 814.216773028 AVERAGEMASS 814.69478 SMILES c(c64)c(cc(c(C(=O)C=C(O6)c(c5)ccc(O)c(O)5)4)O)OC(O1)C(OC(C(O)2)OC(C(C(OC(C3O)OC(C(C3O)O)COC(C)=O)2)O)CO)C(C(C1CO)O)O M END
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