Mol:FL3FADGS0026
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 55 60 0 0 0 0 0 0 0 0999 V2000 4.5385 -0.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5385 -1.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2530 -1.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -1.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -0.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2530 0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8240 -1.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1096 -1.0591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3951 -1.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3951 -2.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1096 -2.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8240 -2.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6806 -1.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9661 -1.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9661 -2.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6806 -2.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1096 -3.4273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2517 -1.0591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6806 -3.3950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6730 0.1675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5419 -1.3908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2675 -0.9718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3332 -0.9211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9207 -1.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1226 -1.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3294 -1.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7418 -0.9387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5400 -1.1477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6969 -0.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1766 -0.2852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8163 -1.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3692 -1.3766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5089 -2.0662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9783 -1.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4497 -2.5143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7975 -1.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3050 -2.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0850 -2.2786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3479 -1.4966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1565 -1.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7023 -1.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4395 -2.7339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6309 -2.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2675 -1.8377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1766 0.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4621 0.9523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8911 0.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8911 1.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6055 2.1898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6055 3.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3200 3.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0345 3.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0345 2.1898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3200 1.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7490 3.4273 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 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 21 22 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 25 33 1 0 0 0 0 26 18 1 0 0 0 0 32 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 38 1 0 0 0 0 41 44 1 0 0 0 0 30 45 1 0 0 0 0 45 46 2 0 0 0 0 45 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 54 49 1 0 0 0 0 52 55 1 0 0 0 0 S SKP 8 ID FL3FADGS0026 KNApSAcK_ID C00013679 NAME Chrysoeriol 7-(3'',6''-di-(E)-p-coumaroylglucoside);7-[[3,6-Bis-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one CAS_RN 625409-67-8 FORMULA C40H34O15 EXACTMASS 754.1897704180001 AVERAGEMASS 754.68896 SMILES c(c1)c(ccc(C=CC(=O)OCC(O2)C(O)C(OC(C=Cc(c6)ccc(c6)O)=O)C(O)C2Oc(c5)cc(O)c(c53)C(C=C(c(c4)ccc(O)c4OC)O3)=O)1)O M END