Mol:FL5FAAGL0036
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 53 58 0 0 0 0 0 0 0 0999 V2000 -2.1684 1.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1684 0.6873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4673 0.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7663 0.6873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7663 1.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4673 1.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0653 0.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6357 0.6873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6357 1.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0653 1.9016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0653 -0.3485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3365 1.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0510 1.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7655 1.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7655 2.7265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0510 3.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3365 2.7265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4673 -0.5266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8691 1.9015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4797 3.1388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4432 0.1960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0437 -0.9320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1976 -0.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4661 -1.3829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1976 -2.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0437 -2.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7753 -1.8771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8831 -0.1898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3703 -2.4465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4805 0.4404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2094 -0.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9041 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 0.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9607 0.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3783 0.4501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6091 -0.2282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7352 0.0644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0968 0.8887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4294 2.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6378 1.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8890 2.5132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6378 3.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4294 3.8546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1783 2.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1871 4.4717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7200 4.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7859 3.4538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0968 2.0757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8495 -3.4068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7129 1.3076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1643 2.4422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1779 -3.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1180 -4.4717 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 3 18 1 0 0 0 0 1 19 1 0 0 0 0 15 20 1 0 0 0 0 8 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 27 29 1 0 0 0 0 23 21 1 0 0 0 0 30 31 1 1 0 0 0 31 32 1 1 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 30 1 0 0 0 0 31 36 1 0 0 0 0 32 37 1 0 0 0 0 28 30 1 0 0 0 0 33 38 1 0 0 0 0 40 39 1 1 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 1 0 0 0 44 39 1 1 0 0 0 43 45 1 0 0 0 0 42 46 1 0 0 0 0 44 47 1 0 0 0 0 39 48 1 0 0 0 0 40 19 1 0 0 0 0 26 49 1 0 0 0 0 50 51 1 0 0 0 0 34 50 1 0 0 0 0 52 53 1 0 0 0 0 25 52 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 50 51 M SBL 1 1 56 M SMT 1 CH2OH M SBV 1 56 -0.7522 -0.3177 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 52 53 M SBL 2 1 58 M SMT 2 ^ CH2OH M SBV 2 58 0.0197 0.8849 S SKP 5 ID FL5FAAGL0036 FORMULA C33H40O20 EXACTMASS 756.21129372 AVERAGEMASS 756.6587 SMILES O(C(O6)C(C(O)C(C(CO)6)O)OC(O5)C(C(O)C(C(CO)5)O)O)C(=C3c(c4)ccc(O)c4)C(=O)c(c(O3)1)c(cc(OC(C2O)OC(C)C(C2O)O)c1)O M END
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