Mol:FL3FACCS0011
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 38 41 0 0 0 0 0 0 0 0999 V2000 -1.5454 -0.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5454 -1.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8495 -2.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1536 -1.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1536 -0.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8495 -0.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5422 -2.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2381 -1.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2381 -0.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5422 -0.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5422 -2.7339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8495 -2.9105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0885 -0.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8219 -0.7948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5552 -0.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5552 0.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8219 0.8987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0885 0.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2879 0.8985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1496 -0.5532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5227 0.5467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8122 0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0377 0.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8122 1.7189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5227 2.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2973 1.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3256 2.8645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8122 2.3646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8819 1.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4533 0.4793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6601 1.5900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4477 1.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2879 1.4552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4477 2.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8219 1.7449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2730 0.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9005 0.5862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2730 1.8642 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 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 3 12 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 9 13 1 0 0 0 0 16 19 1 0 0 0 0 1 20 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 26 21 1 1 0 0 0 25 27 1 0 0 0 0 24 28 1 0 0 0 0 26 29 1 0 0 0 0 23 30 1 0 0 0 0 22 6 1 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 17 35 1 0 0 0 0 30 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 S SKP 5 ID FL3FACCS0011 FORMULA C25H24O13 EXACTMASS 532.121690854 AVERAGEMASS 532.45026 SMILES c(c21)(O)cc(c(C(O4)C(C(C(O)C4COC(C)=O)O)OC(C)=O)c1OC(c(c3)cc(c(c3)O)O)=CC2=O)O M END
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