Mol:FL3FEAGS0019
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 44 48 0 0 0 0 0 0 0 0999 V2000 | + | 44 48 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.4765 0.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4765 0.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4765 -0.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4765 -0.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7621 -0.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7621 -0.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0478 -0.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0478 -0.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0477 0.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0477 0.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7620 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7620 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3334 -0.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3334 -0.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6190 -0.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6190 -0.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6190 0.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6190 0.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3334 0.6548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3334 0.6548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3333 -1.7053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3333 -1.7053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0951 0.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0951 0.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8232 0.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8232 0.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5511 0.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5511 0.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5512 1.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5512 1.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8229 1.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8229 1.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0951 1.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0951 1.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7462 -1.6930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7462 -1.6930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3017 1.9211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3017 1.9211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6285 1.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6285 1.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9245 1.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9245 1.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7733 1.3576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7733 1.3576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4270 0.7921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4270 0.7921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1311 1.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1311 1.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2823 1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2823 1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9663 2.1557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9663 2.1557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0934 1.7672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0934 1.7672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6792 0.8350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6792 0.8350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2374 0.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2374 0.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8257 -0.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8257 -0.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3764 -1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3764 -1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2405 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2405 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1097 -1.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1097 -1.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5593 -0.5730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5593 -0.5730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6950 -0.8199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6950 -0.8199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7893 -1.7440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7893 -1.7440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8515 -1.1543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8515 -1.1543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1249 -0.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1249 -0.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0902 -2.1557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0902 -2.1557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4085 0.0626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4085 0.0626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1977 0.6378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1977 0.6378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9895 2.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9895 2.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1305 -0.9251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1305 -0.9251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6792 -0.5944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6792 -0.5944 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 |
| − | 18 3 1 0 0 0 0 | + | 18 3 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 21 19 1 0 0 0 0 | + | 21 19 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 34 33 1 1 0 0 0 | + | 34 33 1 1 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
| − | 32 36 1 0 0 0 0 | + | 32 36 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 30 38 1 0 0 0 0 | + | 30 38 1 0 0 0 0 |
| − | 33 39 1 0 0 0 0 | + | 33 39 1 0 0 0 0 |
| − | 29 40 1 0 0 0 0 | + | 29 40 1 0 0 0 0 |
| − | 40 34 1 0 0 0 0 | + | 40 34 1 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 1 41 1 0 0 0 0 | + | 1 41 1 0 0 0 0 |
| − | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
| − | 2 43 1 0 0 0 0 | + | 2 43 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 41 42 | + | M SAL 1 2 41 42 |
| − | M SBL 1 1 46 | + | M SBL 1 1 46 |
| − | M SMT 1 ^ OCH3 | + | M SMT 1 ^ OCH3 |
| − | M SBV 1 46 0.7212 -0.3955 | + | M SBV 1 46 0.7212 -0.3955 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 43 44 | + | M SAL 2 2 43 44 |
| − | M SBL 2 1 48 | + | M SBL 2 1 48 |
| − | M SMT 2 ^ OCH3 | + | M SMT 2 ^ OCH3 |
| − | M SBV 2 48 0.6540 0.3426 | + | M SBV 2 48 0.6540 0.3426 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FEAGS0019 | + | ID FL3FEAGS0019 |
| − | FORMULA C29H34O15 | + | FORMULA C29H34O15 |
| − | EXACTMASS 622.189770418 | + | EXACTMASS 622.189770418 |
| − | AVERAGEMASS 622.5712599999999 | + | AVERAGEMASS 622.5712599999999 |
| − | SMILES OC(C2O)C(Oc(c3)ccc(C(=C4)Oc(c5)c(c(c(c5OC)OC)O)C4=O)c3)OC(C2O)COC(O1)C(C(C(O)C(C)1)O)O | + | SMILES OC(C2O)C(Oc(c3)ccc(C(=C4)Oc(c5)c(c(c(c5OC)OC)O)C4=O)c3)OC(C2O)COC(O1)C(C(C(O)C(C)1)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/
44 48 0 0 0 0 0 0 0 0999 V2000
-3.4765 0.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4765 -0.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7621 -0.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0478 -0.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0477 0.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7620 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3334 -0.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6190 -0.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6190 0.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3334 0.6548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3333 -1.7053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0951 0.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8232 0.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5511 0.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5512 1.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8229 1.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0951 1.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7462 -1.6930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3017 1.9211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6285 1.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9245 1.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7733 1.3576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4270 0.7921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1311 1.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2823 1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9663 2.1557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0934 1.7672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6792 0.8350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2374 0.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8257 -0.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3764 -1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2405 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1097 -1.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5593 -0.5730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6950 -0.8199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7893 -1.7440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8515 -1.1543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1249 -0.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0902 -2.1557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4085 0.0626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1977 0.6378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9895 2.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1305 -0.9251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6792 -0.5944 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
18 3 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
23 29 1 0 0 0 0
21 19 1 0 0 0 0
19 15 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
32 36 1 0 0 0 0
31 37 1 0 0 0 0
30 38 1 0 0 0 0
33 39 1 0 0 0 0
29 40 1 0 0 0 0
40 34 1 0 0 0 0
41 42 1 0 0 0 0
1 41 1 0 0 0 0
43 44 1 0 0 0 0
2 43 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 41 42
M SBL 1 1 46
M SMT 1 ^ OCH3
M SBV 1 46 0.7212 -0.3955
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 43 44
M SBL 2 1 48
M SMT 2 ^ OCH3
M SBV 2 48 0.6540 0.3426
S SKP 5
ID FL3FEAGS0019
FORMULA C29H34O15
EXACTMASS 622.189770418
AVERAGEMASS 622.5712599999999
SMILES OC(C2O)C(Oc(c3)ccc(C(=C4)Oc(c5)c(c(c(c5OC)OC)O)C4=O)c3)OC(C2O)COC(O1)C(C(C(O)C(C)1)O)O
M END
