Mol:FL4DACGS0024
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 43 47 0 0 0 0 0 0 0 0999 V2000 | + | 43 47 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.9691 0.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9691 0.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2546 0.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2546 0.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5402 0.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5402 0.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5402 1.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5402 1.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2546 2.1025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2546 2.1025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9691 1.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9691 1.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8257 0.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8257 0.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1112 0.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1112 0.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1112 1.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1112 1.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8257 2.1025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8257 2.1025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8257 -0.2659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8257 -0.2659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3161 2.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3161 2.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4090 1.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4090 1.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1341 2.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1341 2.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1341 2.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1341 2.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4090 3.3568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4090 3.3568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3161 2.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3161 2.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5871 2.0840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5871 2.0840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4691 0.0741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4691 0.0741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8593 3.3568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8593 3.3568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4090 4.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4090 4.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6452 -1.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6452 -1.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4643 -1.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4643 -1.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0282 -0.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0282 -0.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0410 0.2001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0410 0.2001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2219 0.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2219 0.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6579 -0.3076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6579 -0.3076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5671 -0.0696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5671 -0.0696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9186 -1.7268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9186 -1.7268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4237 -2.1089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4237 -2.1089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6526 -0.9736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6526 -0.9736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2546 -0.3715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2546 -0.3715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6463 -1.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6463 -1.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1734 -2.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1734 -2.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9053 -2.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9053 -2.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5710 -2.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5710 -2.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0441 -2.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0441 -2.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3121 -2.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3121 -2.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9474 -1.8201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9474 -1.8201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9401 -1.7623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9401 -1.7623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5871 -2.4918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5871 -2.4918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3977 -2.8488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3977 -2.8488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1308 -4.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1308 -4.1942 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 6 0 0 0 | + | 9 12 1 6 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 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 8 19 1 1 0 0 0 | + | 8 19 1 1 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 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 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 27 22 1 1 0 0 0 | + | 27 22 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 26 19 1 0 0 0 0 | + | 26 19 1 0 0 0 0 |
| − | 2 32 1 0 0 0 0 | + | 2 32 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 35 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
| − | 37 36 1 1 0 0 0 | + | 37 36 1 1 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 33 1 0 0 0 0 | + | 38 33 1 0 0 0 0 |
| − | 33 39 1 0 0 0 0 | + | 33 39 1 0 0 0 0 |
| − | 38 40 1 0 0 0 0 | + | 38 40 1 0 0 0 0 |
| − | 37 41 1 0 0 0 0 | + | 37 41 1 0 0 0 0 |
| − | 34 30 1 0 0 0 0 | + | 34 30 1 0 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | 36 42 1 0 0 0 0 | + | 36 42 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 42 43 | + | M SAL 1 2 42 43 |
| − | M SBL 1 1 47 | + | M SBL 1 1 47 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 47 -0.8267 0.0802 | + | M SBV 1 47 -0.8267 0.0802 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL4DACGS0024 | + | ID FL4DACGS0024 |
| − | FORMULA C27H32O16 | + | FORMULA C27H32O16 |
| − | EXACTMASS 612.1690349759999 | + | EXACTMASS 612.1690349759999 |
| − | AVERAGEMASS 612.53338 | + | AVERAGEMASS 612.53338 |
| − | SMILES OC(C5O)C(O)C(OC5CO)OC(C4O)C(C)OC(C(O)4)OC(C2=O)C(Oc(c3)c2c(O)cc3O)c(c1)ccc(O)c1O | + | SMILES OC(C5O)C(O)C(OC5CO)OC(C4O)C(C)OC(C(O)4)OC(C2=O)C(Oc(c3)c2c(O)cc3O)c(c1)ccc(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/
43 47 0 0 0 0 0 0 0 0999 V2000
-3.9691 0.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2546 0.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5402 0.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5402 1.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2546 2.1025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9691 1.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8257 0.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1112 0.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1112 1.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8257 2.1025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8257 -0.2659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3161 2.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4090 1.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1341 2.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1341 2.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4090 3.3568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3161 2.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5871 2.0840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4691 0.0741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8593 3.3568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4090 4.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6452 -1.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 -1.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0282 -0.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0410 0.2001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2219 0.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6579 -0.3076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5671 -0.0696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9186 -1.7268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4237 -2.1089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6526 -0.9736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2546 -0.3715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6463 -1.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1734 -2.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9053 -2.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5710 -2.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0441 -2.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3121 -2.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9474 -1.8201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9401 -1.7623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5871 -2.4918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3977 -2.8488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1308 -4.1942 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
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 6 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
6 18 1 0 0 0 0
8 19 1 1 0 0 0
15 20 1 0 0 0 0
16 21 1 0 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 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
27 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
26 19 1 0 0 0 0
2 32 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
33 39 1 0 0 0 0
38 40 1 0 0 0 0
37 41 1 0 0 0 0
34 30 1 0 0 0 0
42 43 1 0 0 0 0
36 42 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 42 43
M SBL 1 1 47
M SMT 1 CH2OH
M SBV 1 47 -0.8267 0.0802
S SKP 5
ID FL4DACGS0024
FORMULA C27H32O16
EXACTMASS 612.1690349759999
AVERAGEMASS 612.53338
SMILES OC(C5O)C(O)C(OC5CO)OC(C4O)C(C)OC(C(O)4)OC(C2=O)C(Oc(c3)c2c(O)cc3O)c(c1)ccc(O)c1O
M END
