Mol:FL4D1CGS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -1.5003 -1.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7918 -1.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0832 -1.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0832 -0.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7918 -0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5003 -0.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6253 -1.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3338 -1.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3338 -0.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6253 -0.0281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6253 -2.3770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1224 -0.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8416 -0.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5609 -0.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5609 0.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8416 1.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1224 0.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1134 -0.0465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9709 -2.0398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8416 2.0464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2801 1.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6160 0.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9016 -0.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1282 0.6296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9016 1.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6160 1.8401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3894 1.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3238 2.3770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9002 2.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0513 1.5889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2801 0.1888 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 3 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 4 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 6 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 6 18 1 0 0 0 0 8 19 1 1 0 0 0 16 20 1 0 0 0 0 15 21 1 0 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 26 1 0 0 0 0 26 27 1 1 0 0 0 27 22 1 1 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 27 30 1 0 0 0 0 22 31 1 0 0 0 0 23 18 1 0 0 0 0 S SKP 5 ID FL4D1CGS0002 FORMULA C21H22O10 EXACTMASS 434.121296924 AVERAGEMASS 434.39338 SMILES C(O1)(Oc(c4)cc(c2c4)OC(c(c3)cc(c(O)c3)O)C(C2=O)O)C(O)C(O)C(O)C(C)1 M END