Mol:FL3FECGS0051
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 1.2627 2.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2627 1.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9772 1.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 1.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 2.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9772 2.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5483 1.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1662 1.6372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8807 1.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8807 0.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1662 -0.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5483 0.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5952 1.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3096 1.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3096 0.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5952 -0.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1662 -0.7311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0241 1.6372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5952 -0.6987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3972 2.8638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3561 1.2536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9627 0.0226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0705 1.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6638 0.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1257 -1.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5382 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7449 -1.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9469 -2.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5343 -1.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3276 -1.6685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9309 -2.8747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3435 -2.5709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0705 -2.0179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9012 -1.5835 0.0000 C 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 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 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 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 16 19 1 0 0 0 0 5 20 1 0 0 0 0 4 21 1 0 0 0 0 15 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 1 0 0 0 28 27 1 1 0 0 0 29 28 1 1 0 0 0 29 30 1 0 0 0 0 30 25 1 0 0 0 0 28 31 1 0 0 0 0 27 32 1 0 0 0 0 26 33 1 0 0 0 0 25 34 1 0 0 0 0 29 19 1 0 0 0 0 S SKP 5 ID FL3FECGS0051 FORMULA C23H24O11 EXACTMASS 476.13186161 AVERAGEMASS 476.43006 SMILES COc(c4O)c(c(c3c4)C(C=C(O3)c(c2)cc(c(c2)O)OC)=O)OC(O1)C(O)C(C(O)C(C)1)O M END
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