Mol:FL63ACGS0009
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
− | -1.7407 0.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7407 0.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7407 -0.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7407 -0.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0263 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0263 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3118 -0.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3118 -0.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3118 0.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3118 0.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0263 0.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0263 0.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4026 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4026 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1171 -0.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1171 -0.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1171 0.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1171 0.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4026 0.9787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4026 0.9787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8315 0.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8315 0.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5519 0.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5519 0.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2723 0.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2723 0.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2723 1.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2723 1.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5519 2.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5519 2.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8315 1.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8315 1.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9618 2.2085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9618 2.2085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4552 0.9787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4552 0.9787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8315 -0.6713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8315 -0.6713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0263 -1.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0263 -1.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5519 3.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5519 3.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5746 -2.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5746 -2.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9165 -2.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9165 -2.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0678 -2.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0678 -2.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5491 -2.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5491 -2.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5309 -1.6763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5309 -1.6763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9165 -3.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9165 -3.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0678 -3.0383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0678 -3.0383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9165 -2.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9165 -2.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.9618 -1.7331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9618 -1.7331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
− | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
− | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
− | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
− | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
− | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
− | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
− | 9 11 1 6 0 0 0 | + | 9 11 1 6 0 0 0 |
− | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
− | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
− | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
− | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
− | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
− | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
− | 17 14 1 0 0 0 0 | + | 17 14 1 0 0 0 0 |
− | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
− | 8 19 1 1 0 0 0 | + | 8 19 1 1 0 0 0 |
− | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
− | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
− | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
− | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
− | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 26 22 1 0 0 0 0 | + | 26 22 1 0 0 0 0 |
− | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
− | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
− | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
− | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
− | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 29 30 | + | M SAL 1 2 29 30 |
− | M SBL 1 1 33 | + | M SBL 1 1 33 |
− | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
− | M SBV 1 33 0.0000 -0.3896 | + | M SBV 1 33 0.0000 -0.3896 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL63ACGS0009 | + | ID FL63ACGS0009 |
− | FORMULA C20H22O10 | + | FORMULA C20H22O10 |
− | EXACTMASS 422.121296924 | + | EXACTMASS 422.121296924 |
− | AVERAGEMASS 422.38268000000005 | + | AVERAGEMASS 422.38268000000005 |
− | SMILES C(O)C(C1O)(COC1Oc(c4)c(c(cc(O)4)2)CC(C(c(c3)cc(c(O)c3)O)O2)O)O | + | SMILES C(O)C(C1O)(COC1Oc(c4)c(c(cc(O)4)2)CC(C(c(c3)cc(c(O)c3)O)O2)O)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -1.7407 0.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7407 -0.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0263 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3118 -0.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3118 0.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0263 0.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4026 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1171 -0.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1171 0.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4026 0.9787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8315 0.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5519 0.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2723 0.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2723 1.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5519 2.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8315 1.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9618 2.2085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4552 0.9787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8315 -0.6713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0263 -1.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5519 3.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5746 -2.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9165 -2.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0678 -2.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5491 -2.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5309 -1.6763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9165 -3.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0678 -3.0383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9165 -2.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9618 -1.7331 0.0000 O 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 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 6 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 17 14 1 0 0 0 0 1 18 1 0 0 0 0 8 19 1 1 0 0 0 3 20 1 0 0 0 0 15 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 22 1 0 0 0 0 23 27 1 0 0 0 0 24 28 1 0 0 0 0 25 20 1 0 0 0 0 29 30 1 0 0 0 0 23 29 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 29 30 M SBL 1 1 33 M SMT 1 CH2OH M SBV 1 33 0.0000 -0.3896 S SKP 5 ID FL63ACGS0009 FORMULA C20H22O10 EXACTMASS 422.121296924 AVERAGEMASS 422.38268000000005 SMILES C(O)C(C1O)(COC1Oc(c4)c(c(cc(O)4)2)CC(C(c(c3)cc(c(O)c3)O)O2)O)O M END