Mol:FL7AAGGA0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 -3.3313 1.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3313 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6168 0.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9023 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9023 1.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6168 1.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1879 0.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4734 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4734 1.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1879 1.6767 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.2408 1.6766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9690 1.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6971 1.6766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6971 2.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9690 2.9378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2408 2.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0455 1.6766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4251 2.9376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6168 -0.7979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3717 -0.0133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9690 3.7784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4251 1.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8199 -1.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1687 -0.7894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3371 -1.6640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1128 -2.4538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8199 -2.8622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5955 -2.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 -0.5299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 -2.3810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4977 -2.6727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5078 -0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0237 -0.8763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7666 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4835 -0.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9625 -0.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3126 -0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3238 -0.8550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3587 -0.9322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0455 -0.3325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1949 -3.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1124 -3.7784 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 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 1 17 1 0 0 0 0 14 18 1 0 0 0 0 3 19 1 0 0 0 0 20 8 1 0 0 0 0 15 21 1 0 0 0 0 13 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 1 0 0 0 25 26 1 1 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 23 29 1 0 0 0 0 28 30 1 0 0 0 0 27 31 1 0 0 0 0 32 33 1 1 0 0 0 33 34 1 1 0 0 0 35 34 1 1 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 33 38 1 0 0 0 0 34 39 1 0 0 0 0 35 40 1 0 0 0 0 29 32 1 0 0 0 0 24 20 1 0 0 0 0 41 42 1 0 0 0 0 26 41 1 0 0 0 0 M CHG 1 10 1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 41 42 M SBL 1 1 46 M SMT 1 CH2OH M SBV 1 46 -0.0821 0.7948 S SKP 5 ID FL7AAGGA0002 FORMULA C26H29O16 EXACTMASS 597.1455598800001 AVERAGEMASS 597.4988599999999 SMILES C(C(O)1)(C(OC(C5O)OCC(C5O)O)C(Oc(c2)c(c(c4)cc(O)c(c(O)4)O)[o+1]c(c3)c(c(cc3O)O)2)OC1CO)O M END
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