Mol:FL3FACGS0060
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 38 41 0 0 0 0 0 0 0 0999 V2000 0.3472 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3472 -1.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0483 -1.4215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7494 -1.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7494 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0483 0.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4504 -1.4215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1515 -1.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1515 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4504 0.1973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4504 -2.1252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8523 0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5668 -0.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2812 0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2812 1.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5668 1.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8523 1.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4602 0.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0483 -2.0635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9963 1.4352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5668 2.1252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2504 -0.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2504 -0.8242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9103 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9103 0.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6776 -0.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4746 -0.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9135 -0.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1057 -0.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3263 -0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8927 -0.1074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5994 -0.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9963 -0.5572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6699 -0.9965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2808 -1.1586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0492 0.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7215 0.6510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7314 0.0834 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 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 9 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 18 1 1 0 0 0 0 3 19 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 18 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 27 28 1 1 0 0 0 28 29 1 1 0 0 0 30 29 1 1 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 27 1 0 0 0 0 27 33 1 0 0 0 0 28 34 1 0 0 0 0 29 35 1 0 0 0 0 30 26 1 0 0 0 0 32 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 2 0 0 0 0 S SKP 5 ID FL3FACGS0060 FORMULA C24H22O14 EXACTMASS 534.100955412 AVERAGEMASS 534.42308 SMILES c(c4)(O)c(cc(c4)C(=C3)Oc(c1)c(C3=O)c(cc(OC(C(OC(C2O)OC(C(O)=O)C(C(O)2)O)C)=O)1)O)O M END
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