Mol:FL5FDDGS0003
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 |
| − | 4.4563 -0.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4563 -0.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7418 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7418 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 4.4563 1.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4563 1.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1707 0.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1707 0.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1707 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1707 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0273 -0.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0273 -0.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3129 -0.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3129 -0.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5985 -0.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5985 -0.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5985 -1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5985 -1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3129 -1.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3129 -1.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0273 -1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0273 -1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8840 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8840 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1695 -0.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1695 -0.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1695 -1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1695 -1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8840 -1.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8840 -1.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3129 -2.5966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3129 -2.5966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5449 -0.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5449 -0.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7418 -1.7716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7418 -1.7716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8840 -2.5966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8840 -2.5966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8852 1.1158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8852 1.1158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4563 1.9408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4563 1.9408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4551 -1.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4551 -1.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1707 2.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1707 2.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2743 0.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2743 0.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8618 -0.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8618 -0.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0634 -0.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0634 -0.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2700 -0.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2700 -0.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6825 0.3599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6825 0.3599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4809 0.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4809 0.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5355 -0.7858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5355 -0.7858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7559 0.1820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7559 0.1820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5349 -0.2448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5349 -0.2448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8686 0.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8686 0.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5098 0.7082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5098 0.7082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7774 1.8530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7774 1.8530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.5847 2.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.5847 2.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1228 1.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1228 1.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0738 0.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0738 0.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2664 0.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2664 0.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7282 1.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7282 1.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.5654 2.5966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.5654 2.5966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0669 2.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0669 2.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.8852 1.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.8852 1.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6359 0.3297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6359 0.3297 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 |
| − | 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 |
| − | 19 23 1 0 0 0 0 | + | 19 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 28 27 1 1 0 0 0 | + | 28 27 1 1 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 |
| − | 30 25 1 0 0 0 0 | + | 30 25 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 25 32 1 0 0 0 0 | + | 25 32 1 0 0 0 0 |
| − | 26 33 1 0 0 0 0 | + | 26 33 1 0 0 0 0 |
| − | 30 34 1 0 0 0 0 | + | 30 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 38 1 1 0 0 0 | + | 37 38 1 1 0 0 0 |
| − | 39 38 1 1 0 0 0 | + | 39 38 1 1 0 0 0 |
| − | 40 39 1 1 0 0 0 | + | 40 39 1 1 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 41 36 1 0 0 0 0 | + | 41 36 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 |
| − | 38 44 1 0 0 0 0 | + | 38 44 1 0 0 0 0 |
| − | 39 45 1 0 0 0 0 | + | 39 45 1 0 0 0 0 |
| − | 35 40 1 0 0 0 0 | + | 35 40 1 0 0 0 0 |
| − | 28 18 1 0 0 0 0 | + | 28 18 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FDDGS0003 | + | ID FL5FDDGS0003 |
| − | FORMULA C29H34O16 | + | FORMULA C29H34O16 |
| − | EXACTMASS 638.18468504 | + | EXACTMASS 638.18468504 |
| − | AVERAGEMASS 638.57066 | + | AVERAGEMASS 638.57066 |
| − | SMILES OC(C(O)1)C(COC(O5)C(C(C(O)C(C)5)O)O)OC(Oc(c2)cc(c(C(=O)3)c(OC(c(c4)ccc(c4OC)O)=C3OC)2)O)C(O)1 | + | SMILES OC(C(O)1)C(COC(O5)C(C(C(O)C(C)5)O)O)OC(Oc(c2)cc(c(C(=O)3)c(OC(c(c4)ccc(c4OC)O)=C3OC)2)O)C(O)1 |
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
4.4563 -0.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7418 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7418 0.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4563 1.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1707 0.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1707 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0273 -0.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3129 -0.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5985 -0.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5985 -1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3129 -1.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0273 -1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8840 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1695 -0.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1695 -1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8840 -1.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3129 -2.5966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5449 -0.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7418 -1.7716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8840 -2.5966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8852 1.1158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4563 1.9408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4551 -1.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1707 2.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2743 0.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8618 -0.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0634 -0.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2700 -0.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6825 0.3599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4809 0.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5355 -0.7858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7559 0.1820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5349 -0.2448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8686 0.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5098 0.7082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7774 1.8530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5847 2.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1228 1.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0738 0.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2664 0.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7282 1.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5654 2.5966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0669 2.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8852 1.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6359 0.3297 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
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
19 23 1 0 0 0 0
22 24 1 0 0 0 0
25 26 1 1 0 0 0
26 27 1 1 0 0 0
28 27 1 1 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 25 1 0 0 0 0
27 31 1 0 0 0 0
25 32 1 0 0 0 0
26 33 1 0 0 0 0
30 34 1 0 0 0 0
34 35 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 1 0 0 0
39 38 1 1 0 0 0
40 39 1 1 0 0 0
40 41 1 0 0 0 0
41 36 1 0 0 0 0
37 42 1 0 0 0 0
36 43 1 0 0 0 0
38 44 1 0 0 0 0
39 45 1 0 0 0 0
35 40 1 0 0 0 0
28 18 1 0 0 0 0
S SKP 5
ID FL5FDDGS0003
FORMULA C29H34O16
EXACTMASS 638.18468504
AVERAGEMASS 638.57066
SMILES OC(C(O)1)C(COC(O5)C(C(C(O)C(C)5)O)O)OC(Oc(c2)cc(c(C(=O)3)c(OC(c(c4)ccc(c4OC)O)=C3OC)2)O)C(O)1
M END
