Mol:FL5FDAGS0007
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 |
− | 2.1945 -1.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1945 -1.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4801 -1.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4801 -1.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4801 -0.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4801 -0.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1945 0.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1945 0.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9090 -0.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9090 -0.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9090 -1.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9090 -1.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7657 -1.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7657 -1.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0512 -1.0618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0512 -1.0618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6633 -1.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6633 -1.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6633 -2.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6633 -2.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0512 -2.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0512 -2.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7657 -2.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7657 -2.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3777 -1.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3777 -1.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0921 -1.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0921 -1.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0921 -2.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0921 -2.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3777 -2.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3777 -2.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0512 -3.5367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0512 -3.5367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8066 -1.0618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8066 -1.0618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4801 -2.7118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4801 -2.7118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3777 -3.5367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3777 -3.5367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5199 0.1158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5199 0.1158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1905 0.8587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1905 0.8587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6542 3.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6542 3.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4358 2.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4358 2.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1457 1.9459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1457 1.9459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5419 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5419 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7605 2.0178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7605 2.0178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0506 2.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0506 2.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1315 3.0433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1315 3.0433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7040 3.5367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7040 3.5367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1373 3.3304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1373 3.3304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0381 2.8253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0381 2.8253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9838 1.1011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9838 1.1011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5931 1.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5931 1.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3914 1.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3914 1.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6725 1.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6725 1.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2603 0.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2603 0.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5382 0.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5382 0.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1808 0.9129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1808 0.9129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8168 -0.1913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8168 -0.1913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6024 0.9825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6024 0.9825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5747 1.9429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5747 1.9429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1549 2.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1549 2.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1933 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1933 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5199 -1.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5199 -1.4736 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 |
− | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
− | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
− | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
− | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
− | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
− | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
− | 23 31 1 0 0 0 0 | + | 23 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 |
− | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
− | 35 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
− | 37 36 1 1 0 0 0 | + | 37 36 1 1 0 0 0 |
− | 38 37 1 1 0 0 0 | + | 38 37 1 1 0 0 0 |
− | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
− | 39 34 1 0 0 0 0 | + | 39 34 1 0 0 0 0 |
− | 37 40 1 0 0 0 0 | + | 37 40 1 0 0 0 0 |
− | 36 41 1 0 0 0 0 | + | 36 41 1 0 0 0 0 |
− | 35 42 1 0 0 0 0 | + | 35 42 1 0 0 0 0 |
− | 34 43 1 0 0 0 0 | + | 34 43 1 0 0 0 0 |
− | 38 33 1 0 0 0 0 | + | 38 33 1 0 0 0 0 |
− | 26 22 1 0 0 0 0 | + | 26 22 1 0 0 0 0 |
− | 19 44 1 0 0 0 0 | + | 19 44 1 0 0 0 0 |
− | 18 45 1 0 0 0 0 | + | 18 45 1 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FDAGS0007 | + | ID FL5FDAGS0007 |
− | FORMULA C29H34O16 | + | FORMULA C29H34O16 |
− | EXACTMASS 638.18468504 | + | EXACTMASS 638.18468504 |
− | AVERAGEMASS 638.57066 | + | AVERAGEMASS 638.57066 |
− | SMILES OC(C(O)4)C(OC(C5O)OC(C)C(C5O)O)C(OC4CO)Oc(c3O)cc(cc3)C(O1)=C(OC)C(=O)c(c(O)2)c1cc(c2)OC | + | SMILES OC(C(O)4)C(OC(C5O)OC(C)C(C5O)O)C(OC4CO)Oc(c3O)cc(cc3)C(O1)=C(OC)C(=O)c(c(O)2)c1cc(c2)OC |
M END | M END | ||
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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 2.1945 -1.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4801 -1.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4801 -0.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1945 0.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9090 -0.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9090 -1.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7657 -1.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0512 -1.0618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6633 -1.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6633 -2.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0512 -2.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7657 -2.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3777 -1.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0921 -1.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0921 -2.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3777 -2.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0512 -3.5367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8066 -1.0618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4801 -2.7118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3777 -3.5367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5199 0.1158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1905 0.8587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 3.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4358 2.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1457 1.9459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5419 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7605 2.0178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0506 2.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1315 3.0433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 3.5367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1373 3.3304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0381 2.8253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9838 1.1011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5931 1.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3914 1.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6725 1.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2603 0.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5382 0.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1808 0.9129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8168 -0.1913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6024 0.9825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5747 1.9429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1549 2.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1933 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5199 -1.4736 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 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 28 1 0 0 0 0 28 23 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 25 33 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 1 0 0 0 37 36 1 1 0 0 0 38 37 1 1 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 37 40 1 0 0 0 0 36 41 1 0 0 0 0 35 42 1 0 0 0 0 34 43 1 0 0 0 0 38 33 1 0 0 0 0 26 22 1 0 0 0 0 19 44 1 0 0 0 0 18 45 1 0 0 0 0 S SKP 5 ID FL5FDAGS0007 FORMULA C29H34O16 EXACTMASS 638.18468504 AVERAGEMASS 638.57066 SMILES OC(C(O)4)C(OC(C5O)OC(C)C(C5O)O)C(OC4CO)Oc(c3O)cc(cc3)C(O1)=C(OC)C(=O)c(c(O)2)c1cc(c2)OC M END