Mol:FL7AAHGL0016
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 -1.7277 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0131 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0131 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7277 2.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4421 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4421 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2986 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2986 2.1833 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1.0966 2.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7798 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4628 2.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4628 2.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7798 3.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0966 2.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7751 3.9296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0267 3.2781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0267 2.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7277 -0.0461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0846 0.5597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9756 -1.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0152 -1.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3359 -0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0962 -0.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1358 -0.2049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2152 -1.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2967 -1.4752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 -2.4108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6119 -2.3021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 -0.8903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3315 4.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0100 1.8479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3313 -3.5313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6229 -3.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7316 -2.4231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3140 -1.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3598 -1.8014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2511 -2.7610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2667 -4.2998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 -3.9919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4143 -2.2224 0.0000 O 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 2 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 3 1 0 0 0 0 9 11 1 0 0 0 0 11 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 16 2 0 0 0 0 16 11 1 0 0 0 0 15 17 1 0 0 0 0 14 18 1 0 0 0 0 5 19 1 0 0 0 0 1 20 1 0 0 0 0 8 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 21 25 1 0 0 0 0 17 33 1 0 0 0 0 13 34 1 0 0 0 0 35 36 1 1 0 0 0 36 37 1 1 0 0 0 38 37 1 1 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 35 1 0 0 0 0 35 41 1 0 0 0 0 36 42 1 0 0 0 0 37 43 1 0 0 0 0 38 32 1 0 0 0 0 M CHG 1 10 1 S SKP 5 ID FL7AAHGL0016 FORMULA C27H31O16 EXACTMASS 611.161209944 AVERAGEMASS 611.52544 SMILES C(C(O)1)(C(OC(C5O)OCC(C5O)O)C(Oc(c2)c(c(c4)cc(OC)c(c4O)O)[o+1]c(c3)c2c(cc3O)O)OC1CO)O M END
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