Mol:FL63ACNC0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 36 0 0 0 0 0 0 0 0999 V2000 2.8501 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1357 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1357 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8501 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5646 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5646 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8501 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1357 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4212 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4212 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8501 -2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7067 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0078 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0078 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7067 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7222 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4328 0.2040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4328 -1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7222 -1.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8540 0.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5646 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5646 -1.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8540 -1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8540 -2.2620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2791 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0078 -1.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7067 2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5646 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4212 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2791 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 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 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 2 1 0 0 0 0 4 11 1 0 0 0 0 9 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 10 2 0 0 0 0 16 14 1 6 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 16 1 0 0 0 0 18 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 19 1 0 0 0 0 25 26 1 0 0 0 0 23 27 1 0 0 0 0 21 28 1 6 0 0 0 12 29 1 0 0 0 0 7 30 2 0 0 0 0 3 31 1 0 0 0 0 5 32 1 0 0 0 0 S SKP 8 ID FL63ACNC0006 KNApSAcK_ID C00013257 NAME (-)-Amurensisin;Amurensisin;2-[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-4,8,9,10-tetrahydroxy-6H-Dibenzo[b,d]pyran-6-one CAS_RN 280576-19-4 FORMULA C22H16O10 EXACTMASS 440.074346732 AVERAGEMASS 440.35644 SMILES O(c12)C(c(c5)cc(c34)c(c(O)5)OC(c3cc(c(c4O)O)O)=O)C(O)Cc1c(O)cc(O)c2 M END