Mol:FL5FADGS0031
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 47 51 0 0 0 0 0 0 0 0999 V2000 | + | 47 51 0 0 0 0 0 0 0 0999 V2000 |
− | 2.1996 1.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1996 1.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4851 1.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4851 1.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4851 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4851 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1996 2.8952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1996 2.8952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9141 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9141 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9141 1.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9141 1.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7708 1.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7708 1.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0563 1.6577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0563 1.6577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6582 1.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6582 1.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6582 0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6582 0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0563 0.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0563 0.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7708 0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7708 0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3726 1.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3726 1.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0870 1.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0870 1.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0870 0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0870 0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3726 0.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3726 0.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0563 -0.8172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0563 -0.8172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8015 1.6577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8015 1.6577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4851 0.0078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4851 0.0078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3726 -0.8172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3726 -0.8172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6286 2.8952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6286 2.8952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1996 3.7202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1996 3.7202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9313 4.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9313 4.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5641 -2.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5641 -2.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2551 -2.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2551 -2.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5671 -1.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5671 -1.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2249 -0.9929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2249 -0.9929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4055 -0.8938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4055 -0.8938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0935 -1.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0935 -1.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5091 -1.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5091 -1.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2634 -2.0245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2634 -2.0245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6713 -2.6705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6713 -2.6705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1362 -2.8533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1362 -2.8533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5328 -1.4146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5328 -1.4146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7403 -2.8095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7403 -2.8095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1529 -3.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1529 -3.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3594 -3.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3594 -3.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5611 -3.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5611 -3.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1484 -2.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1484 -2.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9420 -3.0187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9420 -3.0187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5245 -4.1426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5245 -4.1426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8548 -3.9418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8548 -3.9418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6286 -3.3532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6286 -3.3532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3097 -2.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3097 -2.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5534 -2.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5534 -2.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9119 -2.5921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9119 -2.5921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1457 -2.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1457 -2.5866 0.0000 C 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 |
− | 2 7 1 0 0 0 0 | + | 2 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 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
− | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
− | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
− | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
− | 9 13 1 0 0 0 0 | + | 9 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
− | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
− | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
− | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
− | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
− | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
− | 4 22 1 0 0 0 0 | + | 4 22 1 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
− | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
− | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
− | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
− | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
− | 29 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
− | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
− | 25 33 1 0 0 0 0 | + | 25 33 1 0 0 0 0 |
− | 26 34 1 0 0 0 0 | + | 26 34 1 0 0 0 0 |
− | 27 19 1 0 0 0 0 | + | 27 19 1 0 0 0 0 |
− | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
− | 36 37 1 1 0 0 0 | + | 36 37 1 1 0 0 0 |
− | 38 37 1 1 0 0 0 | + | 38 37 1 1 0 0 0 |
− | 39 38 1 1 0 0 0 | + | 39 38 1 1 0 0 0 |
− | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
− | 40 35 1 0 0 0 0 | + | 40 35 1 0 0 0 0 |
− | 38 41 1 0 0 0 0 | + | 38 41 1 0 0 0 0 |
− | 37 42 1 0 0 0 0 | + | 37 42 1 0 0 0 0 |
− | 36 43 1 0 0 0 0 | + | 36 43 1 0 0 0 0 |
− | 35 44 1 0 0 0 0 | + | 35 44 1 0 0 0 0 |
− | 39 31 1 0 0 0 0 | + | 39 31 1 0 0 0 0 |
− | 34 45 1 0 0 0 0 | + | 34 45 1 0 0 0 0 |
− | 45 46 2 0 0 0 0 | + | 45 46 2 0 0 0 0 |
− | 45 47 1 0 0 0 0 | + | 45 47 1 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FADGS0031 | + | ID FL5FADGS0031 |
− | FORMULA C30H34O17 | + | FORMULA C30H34O17 |
− | EXACTMASS 666.179599662 | + | EXACTMASS 666.179599662 |
− | AVERAGEMASS 666.58076 | + | AVERAGEMASS 666.58076 |
− | SMILES C(C(OC(C(=O)4)=C(Oc(c5)c(c(cc(O)5)O)4)c(c3)cc(OC)c(O)c3)2)(C(O)C(C(O2)COC(O1)C(O)C(O)C(C1C)O)O)OC(C)=O | + | SMILES C(C(OC(C(=O)4)=C(Oc(c5)c(c(cc(O)5)O)4)c(c3)cc(OC)c(O)c3)2)(C(O)C(C(O2)COC(O1)C(O)C(O)C(C1C)O)O)OC(C)=O |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 47 51 0 0 0 0 0 0 0 0999 V2000 2.1996 1.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4851 1.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4851 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1996 2.8952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9141 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9141 1.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7708 1.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0563 1.6577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6582 1.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6582 0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0563 0.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7708 0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3726 1.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 1.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3726 0.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0563 -0.8172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8015 1.6577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4851 0.0078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3726 -0.8172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6286 2.8952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1996 3.7202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9313 4.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5641 -2.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2551 -2.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5671 -1.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2249 -0.9929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4055 -0.8938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0935 -1.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5091 -1.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2634 -2.0245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6713 -2.6705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1362 -2.8533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5328 -1.4146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7403 -2.8095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1529 -3.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3594 -3.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5611 -3.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1484 -2.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9420 -3.0187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5245 -4.1426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8548 -3.9418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6286 -3.3532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3097 -2.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5534 -2.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9119 -2.5921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1457 -2.5866 0.0000 C 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 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 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 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 22 1 0 0 0 0 22 23 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 29 1 0 0 0 0 29 24 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 24 32 1 0 0 0 0 25 33 1 0 0 0 0 26 34 1 0 0 0 0 27 19 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 1 0 0 0 38 37 1 1 0 0 0 39 38 1 1 0 0 0 39 40 1 0 0 0 0 40 35 1 0 0 0 0 38 41 1 0 0 0 0 37 42 1 0 0 0 0 36 43 1 0 0 0 0 35 44 1 0 0 0 0 39 31 1 0 0 0 0 34 45 1 0 0 0 0 45 46 2 0 0 0 0 45 47 1 0 0 0 0 S SKP 5 ID FL5FADGS0031 FORMULA C30H34O17 EXACTMASS 666.179599662 AVERAGEMASS 666.58076 SMILES C(C(OC(C(=O)4)=C(Oc(c5)c(c(cc(O)5)O)4)c(c3)cc(OC)c(O)c3)2)(C(O)C(C(O2)COC(O1)C(O)C(O)C(C1C)O)O)OC(C)=O M END