Mol:FL7AADGO0003
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 -1.4848 0.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4848 -0.7318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7702 -1.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0557 -0.7318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0557 0.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7702 0.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6588 -1.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3734 -0.7318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3734 0.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6588 0.5058 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 2.0877 0.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8159 0.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5442 0.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5442 1.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8159 1.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0877 1.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1991 0.5057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3009 1.7835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7702 -1.9691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2188 -1.1986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1260 -1.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6813 -2.5632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0409 -2.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3735 -2.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8720 -1.8585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5262 -2.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7661 -2.1649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2634 -2.4999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3632 -2.8078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9427 -2.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6304 -2.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4121 -2.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6304 -1.2841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9427 -0.8871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1609 -1.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0754 -1.6197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9976 -3.1502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5162 -3.6546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9687 -2.4044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8159 2.5021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3829 3.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0744 -1.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3009 -1.1553 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 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 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 19 1 0 0 0 0 31 30 1 1 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 1 0 0 0 35 30 1 1 0 0 0 35 36 1 0 0 0 0 30 37 1 0 0 0 0 31 38 1 0 0 0 0 32 39 1 0 0 0 0 34 20 1 0 0 0 0 40 41 1 0 0 0 0 15 40 1 0 0 0 0 42 43 1 0 0 0 0 26 42 1 0 0 0 0 M CHG 1 10 1 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 0.0000 -0.7351 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 42 43 M SBL 2 1 47 M SMT 2 ^ CH2OH M SBV 2 47 0.5482 -0.5564 S SKP 5 ID FL7AADGS0003 FORMULA C28H33O15 EXACTMASS 609.181945386 AVERAGEMASS 609.5526199999999 SMILES OC(C1O)C(Oc(c2)c(c(c5)cc(c(O)c5)OC)[o+1]c(c4)c2c(cc4O)OC(C(O)3)OC(C(C(O)3)O)CO)OC(C(O)1)C M END
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