Mol:FL3FACCS0041
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -2.0227 -0.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0227 -1.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4664 -1.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9101 -1.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9101 -0.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4664 -0.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3538 -1.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2025 -1.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2025 -0.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3538 -0.3317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5788 -0.3318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4664 -2.2585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8205 -0.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4067 -0.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9929 -0.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9929 0.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4067 0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8205 0.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5788 0.7040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1179 2.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7234 1.5434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4665 0.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4597 0.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9963 0.7085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3014 1.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 2.0021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7583 2.2585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 0.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4067 1.3807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3538 -2.1796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7957 1.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0812 1.1659 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 1 11 1 0 0 0 0 3 12 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 13 9 1 0 0 0 0 16 19 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 6 23 1 0 0 0 0 17 29 1 0 0 0 0 7 30 2 0 0 0 0 25 31 1 0 0 0 0 31 32 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 34 M SMT 1 CH2OH M SBV 1 34 -7.1641 5.9503 S SKP 8 ID FL3FACCS0041 KNApSAcK_ID C00006355 NAME 8-C-Galactosylluteolin;2-(3,4-Dihydroxyphenyl)-8-beta-D-galactopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one CAS_RN 61950-88-7 FORMULA C21H20O11 EXACTMASS 448.100561482 AVERAGEMASS 448.3769 SMILES C(C(O)1)(c(c(O)4)c(O2)c(c(O)c4)C(=O)C=C2c(c3)cc(c(O)c3)O)OC(CO)C(O)C1O M END