Mol:FL1A3CGS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 0.0911 -1.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0911 -0.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4281 -0.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9473 -0.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9473 -1.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4281 -1.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6613 -1.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0137 -0.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6613 -0.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4665 -0.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4555 -0.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3393 -0.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6396 -1.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2402 -1.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5404 -0.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2402 -0.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6396 -0.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1399 -0.9058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8056 -1.9295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5399 0.1335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6261 -0.3217 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2549 -0.8117 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7204 -0.6038 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2047 -0.5982 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5795 -0.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0471 -0.4702 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9663 0.1642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6054 -1.2729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4142 -1.1179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0185 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4281 0.2932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4328 0.5710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9901 1.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2542 1.4710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5241 1.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2630 1.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6969 1.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 1.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8939 1.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6263 1.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8939 1.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 1.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0914 1.4659 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 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 4 10 1 0 0 0 0 8 11 2 0 0 0 0 11 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 15 18 1 0 0 0 0 7 19 2 0 0 0 0 16 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 26 30 1 0 0 0 0 24 10 1 0 0 0 0 3 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 37 1 0 0 0 0 40 43 1 0 0 0 0 S SKP 8 ID FL1A3CGS0003 KNApSAcK_ID C00008052 NAME Maritimetin 6-(6''-p-coumarylglucoside) CAS_RN 134955-55-8 FORMULA C30H26O13 EXACTMASS 594.137340918 AVERAGEMASS 594.51964 SMILES Oc(c1)c(ccc1C=c(c(=O)2)oc(c3O)c2ccc3O[C@@H]([C@H]5O)OC([C@H](O)[C@@H]5O)COC(C=Cc(c4)ccc(O)c4)=O)O M END