Mol:FL3FAAGS0059
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 53 58 0 0 0 0 0 0 0 0999 V2000 0.6240 0.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 -0.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3385 -0.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0529 -0.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0529 0.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3385 1.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7674 -0.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4819 -0.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4819 0.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7674 1.1932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1963 1.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9108 0.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6253 1.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6253 2.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9108 2.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1963 2.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7674 -1.2818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3385 -1.2818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0905 1.1932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3716 2.4490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6238 1.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2112 0.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4128 0.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6194 0.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0319 1.1730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8303 0.9639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9873 1.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4671 1.8268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1070 0.7074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6598 0.7350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5843 0.0451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3899 0.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9772 -0.6629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1789 -0.4538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3854 -0.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7980 0.0341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5964 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7533 0.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2332 0.6879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8731 -0.4314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4259 -0.4039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3504 -1.0937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8884 -1.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4757 -2.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6774 -1.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8839 -2.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2965 -1.3212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0949 -1.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2519 -0.9444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7317 -0.6674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3716 -1.7867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9244 -1.7592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8489 -2.4490 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 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 9 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 7 17 2 0 0 0 0 3 18 1 0 0 0 0 1 19 1 0 0 0 0 14 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 26 27 1 0 0 0 0 27 28 1 0 0 0 0 21 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 32 33 1 1 0 0 0 33 34 1 1 0 0 0 35 34 1 1 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 32 40 1 0 0 0 0 33 41 1 0 0 0 0 34 42 1 0 0 0 0 35 31 1 0 0 0 0 24 19 1 0 0 0 0 43 44 1 1 0 0 0 44 45 1 1 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 43 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 43 51 1 0 0 0 0 44 52 1 0 0 0 0 45 53 1 0 0 0 0 46 42 1 0 0 0 0 S SKP 8 ID FL3FAAGS0059 KNApSAcK_ID C00013609 NAME Apigenin 7-sophorotrioside;5,7,4'-Trihydroxyflavone 7-sophorotrioside;7-[(O-beta-D-Glucopyranosyl-(1->2)-O-beta-D-glucopyranosyl-(1->2)-b-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one CAS_RN 205326-78-9 FORMULA C33H40O20 EXACTMASS 756.21129372 AVERAGEMASS 756.6587 SMILES OC(C(CO)6)C(O)C(O)C(O6)OC(C1OC(C2O)C(Oc(c3)cc(c(C5=O)c3OC(=C5)c(c4)ccc(c4)O)O)OC(C2O)CO)C(O)C(C(CO)O1)O M END
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