Mol:FLIAAAGS0012
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 40 44 0 0 0 0 0 0 0 0999 V2000 | + | 40 44 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2281 1.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2281 1.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5133 1.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5133 1.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7988 1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7988 1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7988 0.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7988 0.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0577 0.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0577 0.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6833 0.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6833 0.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6833 1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6833 1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0577 1.9228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0577 1.9228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2281 0.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2281 0.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5133 0.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5133 0.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0577 -0.5047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0577 -0.5047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4239 0.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4239 0.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4239 -0.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4239 -0.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1323 -1.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1323 -1.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8407 -0.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8407 -0.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8407 0.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8407 0.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1323 0.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1323 0.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5407 -1.0166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5407 -1.0166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8848 1.8740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8848 1.8740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6787 1.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6787 1.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0202 1.3408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0202 1.3408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3574 1.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3574 1.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5543 1.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5543 1.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1827 2.0702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1827 2.0702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8597 1.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8597 1.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.2343 1.8530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.2343 1.8530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.7406 1.4055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7406 1.4055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6670 1.0216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6670 1.0216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5133 -0.4814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5133 -0.4814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0066 -0.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0066 -0.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7466 -1.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7466 -1.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6483 -1.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6483 -1.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3162 -0.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3162 -0.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1495 0.0147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1495 0.0147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7466 -0.4802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7466 -0.4802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6483 -0.4798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6483 -0.4798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6483 -1.5747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6483 -1.5747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3871 -2.8327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3871 -2.8327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3555 2.3848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3555 2.3848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.3162 2.8327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.3162 2.8327 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 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 3 1 0 0 0 0 | + | 8 3 1 0 0 0 0 |
| − | 1 9 1 0 0 0 0 | + | 1 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 5 11 2 0 0 0 0 | + | 5 11 2 0 0 0 0 |
| − | 6 12 1 0 0 0 0 | + | 6 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 15 1 0 0 0 0 | + | 18 15 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 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 |
| − | 19 23 1 0 0 0 0 | + | 19 23 1 0 0 0 0 |
| − | 10 29 1 0 0 0 0 | + | 10 29 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 30 1 0 0 0 0 | + | 34 30 1 0 0 0 0 |
| − | 31 35 1 0 0 0 0 | + | 31 35 1 0 0 0 0 |
| − | 32 36 1 0 0 0 0 | + | 32 36 1 0 0 0 0 |
| − | 18 30 1 0 0 0 0 | + | 18 30 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 32 37 1 0 0 0 0 | + | 32 37 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 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 37 38 | + | M SAL 1 2 37 38 |
| − | M SBL 1 1 42 | + | M SBL 1 1 42 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 42 0.0000 0.5732 | + | M SBV 1 42 0.0000 0.5732 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 39 40 | + | M SAL 2 2 39 40 |
| − | M SBL 2 1 44 | + | M SBL 2 1 44 |
| − | M SMT 2 ^ CH2OH | + | M SMT 2 ^ CH2OH |
| − | M SBV 2 44 0.4958 -0.5577 | + | M SBV 2 44 0.4958 -0.5577 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FLIAAAGS0012 | + | ID FLIAAAGS0012 |
| − | FORMULA C26H28O14 | + | FORMULA C26H28O14 |
| − | EXACTMASS 564.147905604 | + | EXACTMASS 564.147905604 |
| − | AVERAGEMASS 564.49212 | + | AVERAGEMASS 564.49212 |
| − | SMILES C(=C3c(c4)ccc(OC(O5)C(C(O)(C5)CO)O)c4)Oc(c(C(=O)3)2)cc(cc2O)OC(C(O)1)OC(CO)C(O)C1O | + | SMILES C(=C3c(c4)ccc(OC(O5)C(C(O)(C5)CO)O)c4)Oc(c(C(=O)3)2)cc(cc2O)OC(C(O)1)OC(CO)C(O)C1O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
40 44 0 0 0 0 0 0 0 0999 V2000
-2.2281 1.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5133 1.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7988 1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7988 0.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0577 0.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6833 0.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6833 1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0577 1.9228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2281 0.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5133 0.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0577 -0.5047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4239 0.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4239 -0.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1323 -1.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8407 -0.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8407 0.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1323 0.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5407 -1.0166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8848 1.8740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6787 1.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0202 1.3408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3574 1.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5543 1.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1827 2.0702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8597 1.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2343 1.8530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7406 1.4055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6670 1.0216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5133 -0.4814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0066 -0.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7466 -1.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6483 -1.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3162 -0.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1495 0.0147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7466 -0.4802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6483 -0.4798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6483 -1.5747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3871 -2.8327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3555 2.3848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3162 2.8327 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 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
8 3 1 0 0 0 0
1 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
5 11 2 0 0 0 0
6 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 15 1 0 0 0 0
1 19 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
19 23 1 0 0 0 0
10 29 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 30 1 0 0 0 0
31 35 1 0 0 0 0
32 36 1 0 0 0 0
18 30 1 0 0 0 0
37 38 1 0 0 0 0
32 37 1 0 0 0 0
39 40 1 0 0 0 0
25 39 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 37 38
M SBL 1 1 42
M SMT 1 CH2OH
M SBV 1 42 0.0000 0.5732
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 39 40
M SBL 2 1 44
M SMT 2 ^ CH2OH
M SBV 2 44 0.4958 -0.5577
S SKP 5
ID FLIAAAGS0012
FORMULA C26H28O14
EXACTMASS 564.147905604
AVERAGEMASS 564.49212
SMILES C(=C3c(c4)ccc(OC(O5)C(C(O)(C5)CO)O)c4)Oc(c(C(=O)3)2)cc(cc2O)OC(C(O)1)OC(CO)C(O)C1O
M END
