Mol:FL3FAIGS0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 2.3856 0.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3856 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 -0.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8145 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8145 0.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 1.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6711 -0.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9566 0.0409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2422 -0.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2422 -1.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9566 -1.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6711 -1.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4723 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1868 -0.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1868 -1.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4723 -1.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9566 -2.3274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9013 0.0409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4723 -2.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3464 1.1729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4276 -0.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7831 2.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1378 0.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5776 0.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1651 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3670 0.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5738 -0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9862 0.5302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7844 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9542 -0.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8223 -0.0949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1378 0.3755 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 6 21 1 0 0 0 0 4 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 25 26 1 1 0 0 0 26 27 1 1 0 0 0 28 27 1 1 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 25 1 0 0 0 0 28 18 1 0 0 0 0 27 31 1 0 0 0 0 26 32 1 0 0 0 0 25 33 1 0 0 0 0 S SKP 5 ID FL3FAIGS0011 FORMULA C22H22O11 EXACTMASS 462.116211546 AVERAGEMASS 462.40348000000006 SMILES c(c3)(c(c(cc3OC(C(O)4)OCC(C(O)4)O)O)1)OC(c(c2)cc(c(c(OC)2)O)OC)=CC1=O M END