Mol:FL5FFCGL0008
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 45 49 0 0 0 0 0 0 0 0999 V2000 | + | 45 49 0 0 0 0 0 0 0 0999 V2000 |
− | -3.5856 0.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5856 0.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5856 -0.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5856 -0.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8846 -0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8846 -0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1836 -0.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1836 -0.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1836 0.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1836 0.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8846 0.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8846 0.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4826 -0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4826 -0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7816 -0.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7816 -0.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7816 0.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7816 0.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4826 0.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4826 0.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4826 -1.5434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4826 -1.5434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0808 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0808 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6337 0.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6337 0.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3482 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3482 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3482 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3482 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6337 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6337 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0808 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0808 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8846 -1.5571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8846 -1.5571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4352 -2.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4352 -2.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9466 -3.0133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9466 -3.0133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8860 -2.7449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8860 -2.7449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8312 -3.0133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8312 -3.0133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.2864 -2.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2864 -2.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3803 -2.4356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3803 -2.4356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5953 -2.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5953 -2.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1409 -0.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1409 -0.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6525 -1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6525 -1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5919 -0.8210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5919 -0.8210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5369 -1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5369 -1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0256 -0.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0256 -0.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0862 -0.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0862 -0.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0675 -0.8200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0675 -0.8200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6599 0.1362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6599 0.1362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7556 -0.3464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7556 -0.3464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2896 -0.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2896 -0.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.0208 -1.3203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0208 -1.3203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2458 -2.8608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2458 -2.8608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3767 -3.5030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3767 -3.5030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8312 -3.8376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8312 -3.8376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3428 -0.3972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3428 -0.3972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.2864 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2864 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0033 2.0741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0033 2.0741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8846 1.6801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8846 1.6801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6337 2.7069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6337 2.7069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1898 3.8376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1898 3.8376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
− | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
− | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
− | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
− | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
− | 6 1 2 0 0 0 0 | + | 6 1 2 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 2 0 0 0 0 | + | 8 9 2 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 |
− | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
− | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
− | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
− | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
− | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
− | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
− | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
− | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
− | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
− | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
− | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
− | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
− | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
− | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 27 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
− | 28 29 1 1 0 0 0 | + | 28 29 1 1 0 0 0 |
− | 30 29 1 1 0 0 0 | + | 30 29 1 1 0 0 0 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | 31 26 1 0 0 0 0 | + | 31 26 1 0 0 0 0 |
− | 31 33 1 0 0 0 0 | + | 31 33 1 0 0 0 0 |
− | 30 34 1 0 0 0 0 | + | 30 34 1 0 0 0 0 |
− | 29 35 1 0 0 0 0 | + | 29 35 1 0 0 0 0 |
− | 23 36 1 0 0 0 0 | + | 23 36 1 0 0 0 0 |
− | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
− | 20 37 1 0 0 0 0 | + | 20 37 1 0 0 0 0 |
− | 21 38 1 0 0 0 0 | + | 21 38 1 0 0 0 0 |
− | 22 39 1 0 0 0 0 | + | 22 39 1 0 0 0 0 |
− | 32 8 1 0 0 0 0 | + | 32 8 1 0 0 0 0 |
− | 27 32 1 0 0 0 0 | + | 27 32 1 0 0 0 0 |
− | 26 40 1 0 0 0 0 | + | 26 40 1 0 0 0 0 |
− | 1 41 1 0 0 0 0 | + | 1 41 1 0 0 0 0 |
− | 15 42 1 0 0 0 0 | + | 15 42 1 0 0 0 0 |
− | 6 43 1 0 0 0 0 | + | 6 43 1 0 0 0 0 |
− | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
− | 16 44 1 0 0 0 0 | + | 16 44 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 44 45 | + | M SAL 1 2 44 45 |
− | M SBL 1 1 49 | + | M SBL 1 1 49 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SBV 1 49 0.0000 -0.5987 | + | M SBV 1 49 0.0000 -0.5987 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FFCGL0008 | + | ID FL5FFCGL0008 |
− | FORMULA C28H32O17 | + | FORMULA C28H32O17 |
− | EXACTMASS 640.163949598 | + | EXACTMASS 640.163949598 |
− | AVERAGEMASS 640.54348 | + | AVERAGEMASS 640.54348 |
− | SMILES C(C1O)(O)C(C(OC(C5=O)=C(Oc(c54)c(O)c(O)cc4O)c(c3)ccc(O)c(OC)3)OC1COC(O2)C(C(C(O)C(C)2)O)O)O | + | SMILES C(C1O)(O)C(C(OC(C5=O)=C(Oc(c54)c(O)c(O)cc4O)c(c3)ccc(O)c(OC)3)OC1COC(O2)C(C(C(O)C(C)2)O)O)O |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 45 49 0 0 0 0 0 0 0 0999 V2000 -3.5856 0.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5856 -0.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8846 -0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1836 -0.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1836 0.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8846 0.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4826 -0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7816 -0.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7816 0.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4826 0.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4826 -1.5434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0808 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6337 0.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3482 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3482 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6337 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0808 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8846 -1.5571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4352 -2.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9466 -3.0133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8860 -2.7449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8312 -3.0133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2864 -2.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3803 -2.4356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5953 -2.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1409 -0.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6525 -1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5919 -0.8210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0256 -0.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0862 -0.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0675 -0.8200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6599 0.1362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7556 -0.3464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2896 -0.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 -1.3203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2458 -2.8608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3767 -3.5030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8312 -3.8376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3428 -0.3972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2864 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0033 2.0741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8846 1.6801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6337 2.7069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1898 3.8376 0.0000 C 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 19 20 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 19 25 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 1 0 0 0 28 29 1 1 0 0 0 30 29 1 1 0 0 0 30 31 1 0 0 0 0 31 26 1 0 0 0 0 31 33 1 0 0 0 0 30 34 1 0 0 0 0 29 35 1 0 0 0 0 23 36 1 0 0 0 0 35 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 32 8 1 0 0 0 0 27 32 1 0 0 0 0 26 40 1 0 0 0 0 1 41 1 0 0 0 0 15 42 1 0 0 0 0 6 43 1 0 0 0 0 44 45 1 0 0 0 0 16 44 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 44 45 M SBL 1 1 49 M SMT 1 OCH3 M SBV 1 49 0.0000 -0.5987 S SKP 5 ID FL5FFCGL0008 FORMULA C28H32O17 EXACTMASS 640.163949598 AVERAGEMASS 640.54348 SMILES C(C1O)(O)C(C(OC(C5=O)=C(Oc(c54)c(O)c(O)cc4O)c(c3)ccc(O)c(OC)3)OC1COC(O2)C(C(C(O)C(C)2)O)O)O M END