Mol:FL3FEAGS0042
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 41 45 0 0 0 0 0 0 0 0999 V2000 4.7418 1.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4425 1.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4425 2.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7418 2.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0409 2.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0409 1.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9871 2.7593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3261 1.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6117 1.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 1.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 0.3980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6117 -0.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3261 0.3980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1722 1.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 1.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 0.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1722 -0.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6117 -0.5574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0482 -0.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1722 -0.6468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8914 -1.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0910 -1.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4597 -0.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5817 -0.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3821 -0.1646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0135 -0.8215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5789 -1.0897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8450 -1.7565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4921 -1.6658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0254 -0.9695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9297 -1.0814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2020 -1.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8554 -2.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9510 -2.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6787 -1.8122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3407 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9696 -0.3532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3780 -2.8495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9871 -1.6654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2555 1.5955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5335 1.1399 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 3 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 8 2 0 0 0 0 10 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 11 1 0 0 0 0 12 18 2 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 19 24 1 0 0 0 0 23 27 1 0 0 0 0 22 28 1 0 0 0 0 21 29 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 1 0 0 0 33 32 1 1 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 30 1 0 0 0 0 29 34 1 0 0 0 0 30 36 1 0 0 0 0 31 37 1 0 0 0 0 33 38 1 0 0 0 0 32 39 1 0 0 0 0 40 41 1 0 0 0 0 15 40 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 40 41 M SBL 1 1 45 M SMT 1 ^OCH3 M SBV 1 45 0.7025 -0.3726 S SKP 5 ID FL3FEAGS0042 FORMULA C27H30O14 EXACTMASS 578.163555668 AVERAGEMASS 578.5187000000001 SMILES C(C(O)1)(C(O)C(OC1OC(C5)C(O)C(O)C(O5)Oc(c(OC)4)c(O)c(c(c4)2)C(=O)C=C(c(c3)ccc(c3)O)O2)C)O M END
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