Mol:FL3FAAGS0053
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 |
| − | -2.2997 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2997 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2997 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2997 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6056 -1.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6056 -1.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9115 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9115 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9115 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9115 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6056 0.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6056 0.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2176 -1.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2176 -1.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4765 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4765 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4765 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4765 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2176 0.0882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2176 0.0882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2176 -2.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2176 -2.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1703 0.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1703 0.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8776 -0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8776 -0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5849 0.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5849 0.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5849 0.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5849 0.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8776 1.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8776 1.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1703 0.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1703 0.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9934 0.0880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9934 0.0880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2301 1.3874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2301 1.3874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6056 -2.1397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6056 -2.1397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3205 1.9193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3205 1.9193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2955 0.9212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2955 0.9212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4683 0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4683 0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8237 -0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8237 -0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9254 0.9119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9254 0.9119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6366 1.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6366 1.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.8998 2.2538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.8998 2.2538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.8037 0.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.8037 0.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2607 -0.3425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2607 -0.3425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7578 1.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7578 1.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1473 2.2338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1473 2.2338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5231 1.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5231 1.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5231 1.2316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5231 1.2316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8916 2.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8916 2.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5353 0.9692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5353 0.9692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6135 0.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6135 0.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4477 0.2588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4477 0.2588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9151 -0.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9151 -0.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8370 -0.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8370 -0.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0027 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0027 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8277 1.3776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8277 1.3776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0398 -0.4222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0398 -0.4222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8998 -0.8956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8998 -0.8956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5725 -1.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5725 -1.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8354 -2.2538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8354 -2.2538 0.0000 O 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 20 3 1 0 0 0 0 | + | 20 3 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 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 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 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 24 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 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 |
| − | 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 |
| − | 35 41 1 0 0 0 0 | + | 35 41 1 0 0 0 0 |
| − | 40 42 1 0 0 0 0 | + | 40 42 1 0 0 0 0 |
| − | 39 43 1 0 0 0 0 | + | 39 43 1 0 0 0 0 |
| − | 19 36 1 0 0 0 0 | + | 19 36 1 0 0 0 0 |
| − | 37 38 1 1 0 0 0 | + | 37 38 1 1 0 0 0 |
| − | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
| − | 38 44 1 0 0 0 0 | + | 38 44 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 44 45 | + | M SAL 1 2 44 45 |
| − | M SBL 1 1 49 | + | M SBL 1 1 49 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 49 -0.6574 0.6934 | + | M SBV 1 49 -0.6574 0.6934 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAAGS0053 | + | ID FL3FAAGS0053 |
| − | FORMULA C29H32O16 | + | FORMULA C29H32O16 |
| − | EXACTMASS 636.1690349759999 | + | EXACTMASS 636.1690349759999 |
| − | AVERAGEMASS 636.5547799999999 | + | AVERAGEMASS 636.5547799999999 |
| − | SMILES c(c4)(c1c(cc(OC(O5)C(O)C(C(C(COC(C)=O)5)O)O)4)O)OC(c(c3)ccc(c3)OC(O2)C(O)C(O)C(C2CO)O)=CC(=O)1 | + | SMILES c(c4)(c1c(cc(OC(O5)C(O)C(C(C(COC(C)=O)5)O)O)4)O)OC(c(c3)ccc(c3)OC(O2)C(O)C(O)C(C2CO)O)=CC(=O)1 |
M END | M END | ||
| − | |||
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
-2.2997 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2997 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6056 -1.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9115 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9115 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6056 0.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2176 -1.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4765 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4765 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2176 0.0882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2176 -2.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1703 0.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8776 -0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5849 0.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5849 0.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8776 1.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1703 0.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9934 0.0880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2301 1.3874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6056 -2.1397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3205 1.9193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2955 0.9212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4683 0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8237 -0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9254 0.9119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6366 1.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8998 2.2538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8037 0.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2607 -0.3425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7578 1.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1473 2.2338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5231 1.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5231 1.2316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8916 2.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5353 0.9692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6135 0.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4477 0.2588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9151 -0.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8370 -0.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0027 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8277 1.3776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0398 -0.4222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8998 -0.8956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5725 -1.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8354 -2.2538 0.0000 O 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
1 18 1 0 0 0 0
15 19 1 0 0 0 0
20 3 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 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
26 30 1 0 0 0 0
24 18 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
35 36 1 0 0 0 0
36 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
35 41 1 0 0 0 0
40 42 1 0 0 0 0
39 43 1 0 0 0 0
19 36 1 0 0 0 0
37 38 1 1 0 0 0
44 45 1 0 0 0 0
38 44 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 44 45
M SBL 1 1 49
M SMT 1 CH2OH
M SBV 1 49 -0.6574 0.6934
S SKP 5
ID FL3FAAGS0053
FORMULA C29H32O16
EXACTMASS 636.1690349759999
AVERAGEMASS 636.5547799999999
SMILES c(c4)(c1c(cc(OC(O5)C(O)C(C(C(COC(C)=O)5)O)O)4)O)OC(c(c3)ccc(c3)OC(O2)C(O)C(O)C(C2CO)O)=CC(=O)1
M END
