Mol:FL3FEAGS0029
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 42 45 0 0 0 0 0 0 0 0999 V2000 1.4216 -0.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4216 -1.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8727 -1.3224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3237 -1.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3237 -0.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8727 -0.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7748 -1.3224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2259 -1.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2259 -0.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7748 -0.2807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7748 -1.7285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6768 -0.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1365 -0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5962 -0.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5962 0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1365 0.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6768 0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8727 -1.8421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9604 -0.2335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7686 -0.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 -1.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5105 -0.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2060 -0.7794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3146 -0.2586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0731 -0.5310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3824 -0.5597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0568 -1.1150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0850 -1.5013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5887 0.0465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5681 0.7890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9358 -1.3424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0558 0.5154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0796 1.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6200 0.6653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1975 0.9953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8575 0.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4762 1.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0558 0.8050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4762 1.8421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1975 1.7172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1975 0.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0796 1.7182 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 3 18 1 0 0 0 0 19 1 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 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 20 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 25 29 1 0 0 0 0 23 19 1 0 0 0 0 29 30 1 0 0 0 0 2 31 1 0 0 0 0 15 32 1 0 0 0 0 30 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 35 40 1 0 0 0 0 35 41 1 0 0 0 0 33 42 2 0 0 0 0 S SKP 8 ID FL3FEAGS0029 KNApSAcK_ID C00004487 NAME 6-Hydroxyapigenin 7-[6''-(3-hydroxy-3-methylglutaryl)glucoside];Scutellarein 7-[6''-(3-Hydroxy-3-methylglutaryl)glucoside];7-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-5,6-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one CAS_RN 151750-82-2 FORMULA C27H28O15 EXACTMASS 592.1428202259999 AVERAGEMASS 592.5022200000001 SMILES c(c1)(ccc(C(=C2)Oc(c3)c(c(c(c3OC(O4)C(C(O)C(C4COC(=O)CC(CC(O)=O)(C)O)O)O)O)O)C2=O)c1)O M END