Mol:FL3FAAGS0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -0.4179 0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4179 -0.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2832 -0.9992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9844 -0.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9844 0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2832 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6856 -0.9992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3867 -0.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3867 0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6856 0.6201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6856 -1.8577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0876 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8023 0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5168 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5168 1.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8023 1.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0876 1.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1189 0.6199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2832 -1.8085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2313 1.8575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6814 0.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9504 -0.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0724 0.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1114 0.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7676 0.9224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7222 0.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2313 0.1990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6940 -0.2820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2300 -0.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2701 1.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9716 1.1337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9011 1.7728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0005 1.2528 0.0000 C 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 1 18 1 0 0 0 0 3 19 1 0 0 0 0 15 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 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 18 1 0 0 0 0 26 30 1 0 0 0 0 30 31 2 0 0 0 0 32 33 1 0 0 0 0 30 32 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 32 33 M SBL 1 1 36 M SMT 1 OCH3 M SBV 1 36 -0.3690 -0.6390 S SKP 5 ID FL3FAAGS0011 FORMULA C22H20O11 EXACTMASS 460.100561482 AVERAGEMASS 460.3876 SMILES OC(C4O)C(OC(C(OC)=O)C(O)4)Oc(c3)cc(c(c3O)1)OC(c(c2)ccc(c2)O)=CC1=O M END