Mol:FL7AAIGL0024
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 44 48 0 0 0 0 0 0 0 0999 V2000 -2.1330 0.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4185 0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4185 1.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1330 2.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8475 1.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8475 0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7039 0.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0105 0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0105 1.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7039 2.0530 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.6912 2.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3743 1.6391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0574 2.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0574 2.8222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3743 3.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6912 2.8222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3743 3.7442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6212 3.1477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4320 1.9779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1330 -0.1765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 0.4293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5666 -1.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6062 -1.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2552 -0.9695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5052 -0.3743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4552 -0.2734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8063 -1.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4029 -1.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0128 -1.5836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7493 -2.3350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1410 -2.4119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6413 -0.8777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9591 4.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7919 1.6196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9222 -3.6823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0318 -3.5337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1406 -2.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7230 -1.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2312 -1.9524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3399 -2.9120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0296 -4.3289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4807 -4.1416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8440 -2.3734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4320 1.9892 0.0000 C 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 34 44 1 0 0 0 0 M CHG 1 10 1 S SKP 5 ID FL7AAIGL0024 FORMULA C28H33O16 EXACTMASS 625.176860008 AVERAGEMASS 625.55202 SMILES C(O)(C(O)1)C(COC(OC(C2Oc(c4)c([o+1]c(c5)c4c(cc5O)O)c(c3)cc(OC)c(O)c(OC)3)C(O)C(O)C(O2)CO)1)O M END