Mol:FL3FABCS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 42 46 0 0 0 0 0 0 0 0999 V2000 | + | 42 46 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7741 0.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7741 0.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7741 0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7741 0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0593 -0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0593 -0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3446 0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3446 0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3446 0.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3446 0.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0593 1.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0593 1.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3702 -0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3702 -0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0850 0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0850 0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0850 0.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0850 0.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3702 1.2409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3702 1.2409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3702 -1.0532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3702 -1.0532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4886 1.2408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4886 1.2408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0593 -1.2348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0593 -1.2348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8789 1.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8789 1.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6322 0.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6322 0.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3854 1.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3854 1.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3854 2.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3854 2.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6322 2.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6322 2.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8789 2.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8789 2.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1018 0.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1018 0.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6568 -0.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6568 -0.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0162 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0162 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3486 -0.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3486 -0.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8472 0.1685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8472 0.1685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5016 -0.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5016 -0.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6184 -0.1142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6184 -0.1142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3078 -0.4893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3078 -0.4893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3590 -0.7813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3590 -0.7813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5360 -1.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5360 -1.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8704 -2.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8704 -2.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2272 -1.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2272 -1.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5802 -2.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5802 -2.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2457 -1.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2457 -1.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8889 -1.6120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8889 -1.6120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2590 -1.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2590 -1.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2906 -1.9469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2906 -1.9469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6731 -2.4854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6731 -2.4854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5802 -2.5719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5802 -2.5719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0322 0.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0322 0.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0561 0.7597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0561 0.7597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1380 2.5716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1380 2.5716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0561 2.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0561 2.0416 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 |
| − | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
| − | 3 13 1 0 0 0 0 | + | 3 13 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 14 9 1 0 0 0 0 | + | 14 9 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 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 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 33 32 1 1 0 0 0 | + | 33 32 1 1 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 29 1 0 0 0 0 | + | 34 29 1 0 0 0 0 |
| − | 29 35 1 0 0 0 0 | + | 29 35 1 0 0 0 0 |
| − | 30 36 1 0 0 0 0 | + | 30 36 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
| − | 33 28 1 0 0 0 0 | + | 33 28 1 0 0 0 0 |
| − | 23 2 1 0 0 0 0 | + | 23 2 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 25 39 1 0 0 0 0 | + | 25 39 1 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 17 41 1 0 0 0 0 | + | 17 41 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 39 40 | + | M SAL 1 2 39 40 |
| − | M SBL 1 1 44 | + | M SBL 1 1 44 |
| − | M SMT 1 ^CH2OH | + | M SMT 1 ^CH2OH |
| − | M SBV 1 44 0.5305 -0.5518 | + | M SBV 1 44 0.5305 -0.5518 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 41 42 | + | M SAL 2 2 41 42 |
| − | M SBL 2 1 46 | + | M SBL 2 1 46 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 46 -0.7527 -0.4345 | + | M SBV 2 46 -0.7527 -0.4345 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FABCS0004 | + | ID FL3FABCS0004 |
| − | FORMULA C28H32O14 | + | FORMULA C28H32O14 |
| − | EXACTMASS 592.179205732 | + | EXACTMASS 592.179205732 |
| − | AVERAGEMASS 592.54528 | + | AVERAGEMASS 592.54528 |
| − | SMILES OC(C1OC(C5O)C(OC(C(O)5)CO)c(c4O)c(O)cc(c24)OC(c(c3)ccc(OC)c3)=CC2=O)C(O)C(C(O1)C)O | + | SMILES OC(C1OC(C5O)C(OC(C(O)5)CO)c(c4O)c(O)cc(c24)OC(c(c3)ccc(OC)c3)=CC2=O)C(O)C(C(O1)C)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-1.7741 0.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7741 0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0593 -0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3446 0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3446 0.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0593 1.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3702 -0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0850 0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0850 0.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3702 1.2409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3702 -1.0532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4886 1.2408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0593 -1.2348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8789 1.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6322 0.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3854 1.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3854 2.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6322 2.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8789 2.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1018 0.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6568 -0.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0162 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3486 -0.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8472 0.1685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5016 -0.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6184 -0.1142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3078 -0.4893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3590 -0.7813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5360 -1.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8704 -2.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2272 -1.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5802 -2.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2457 -1.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8889 -1.6120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2590 -1.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2906 -1.9469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6731 -2.4854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5802 -2.5719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0322 0.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0561 0.7597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1380 2.5716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0561 2.0416 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
1 12 1 0 0 0 0
3 13 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
14 9 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 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 29 1 0 0 0 0
29 35 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 28 1 0 0 0 0
23 2 1 0 0 0 0
39 40 1 0 0 0 0
25 39 1 0 0 0 0
41 42 1 0 0 0 0
17 41 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 39 40
M SBL 1 1 44
M SMT 1 ^CH2OH
M SBV 1 44 0.5305 -0.5518
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 41 42
M SBL 2 1 46
M SMT 2 OCH3
M SBV 2 46 -0.7527 -0.4345
S SKP 5
ID FL3FABCS0004
FORMULA C28H32O14
EXACTMASS 592.179205732
AVERAGEMASS 592.54528
SMILES OC(C1OC(C5O)C(OC(C(O)5)CO)c(c4O)c(O)cc(c24)OC(c(c3)ccc(OC)c3)=CC2=O)C(O)C(C(O1)C)O
M END
