Mol:FL5FFCGL0002
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 |
| − | -3.2738 0.8369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2738 0.8369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2738 0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2738 0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5593 -0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5593 -0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8449 0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8449 0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8449 0.8369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8449 0.8369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5593 1.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5593 1.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1304 -0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1304 -0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4160 0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4160 0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4160 0.8369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4160 0.8369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1304 1.2494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1304 1.2494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1304 -1.1254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1304 -1.1254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2982 1.2493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2982 1.2493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0264 0.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0264 0.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7545 1.2493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7545 1.2493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7545 2.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7545 2.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0264 2.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0264 2.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2982 2.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2982 2.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9880 1.2493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9880 1.2493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3761 -0.5039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3761 -0.5039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5593 -1.2253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5593 -1.2253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3247 -1.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3247 -1.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8936 -2.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8936 -2.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7227 -2.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7227 -2.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5569 -2.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5569 -2.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9880 -1.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9880 -1.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1589 -2.1136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1589 -2.1136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5459 -2.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5459 -2.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4368 0.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4368 0.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0057 -0.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0057 -0.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8348 -0.3979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8348 -0.3979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6690 -0.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6690 -0.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1001 0.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1001 0.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2710 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2710 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6374 -0.1040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6374 -0.1040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6124 0.4663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6124 0.4663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6677 -0.0403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6677 -0.0403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5021 -0.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5021 -0.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9363 -1.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9363 -1.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3161 -2.5220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3161 -2.5220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1629 -2.9916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1629 -2.9916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5569 -3.3511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5569 -3.3511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5686 2.5602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5686 2.5602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0264 3.3511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0264 3.3511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5593 2.0741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5593 2.0741 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 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 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 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 1 0 0 0 | + | 29 30 1 1 0 0 0 |
| − | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
| − | 32 31 1 1 0 0 0 | + | 32 31 1 1 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 28 1 0 0 0 0 | + | 33 28 1 0 0 0 0 |
| − | 28 34 1 0 0 0 0 | + | 28 34 1 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 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 |
| − | 25 38 1 0 0 0 0 | + | 25 38 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 22 39 1 0 0 0 0 | + | 22 39 1 0 0 0 0 |
| − | 23 40 1 0 0 0 0 | + | 23 40 1 0 0 0 0 |
| − | 24 41 1 0 0 0 0 | + | 24 41 1 0 0 0 0 |
| − | 29 19 1 0 0 0 0 | + | 29 19 1 0 0 0 0 |
| − | 42 15 1 0 0 0 0 | + | 42 15 1 0 0 0 0 |
| − | 16 43 1 0 0 0 0 | + | 16 43 1 0 0 0 0 |
| − | 6 44 1 0 0 0 0 | + | 6 44 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FFCGL0002 | + | ID FL5FFCGL0002 |
| − | FORMULA C27H30O17 | + | FORMULA C27H30O17 |
| − | EXACTMASS 626.148299534 | + | EXACTMASS 626.148299534 |
| − | AVERAGEMASS 626.5169000000001 | + | AVERAGEMASS 626.5169000000001 |
| − | SMILES C(OC(O5)C(C(O)C(O)C5C)O)C(O1)C(C(O)C(O)C1OC(=C2c(c4)ccc(c(O)4)O)C(=O)c(c(O)3)c(c(c(c3)O)O)O2)O | + | SMILES C(OC(O5)C(C(O)C(O)C5C)O)C(O1)C(C(O)C(O)C1OC(=C2c(c4)ccc(c(O)4)O)C(=O)c(c(O)3)c(c(c(c3)O)O)O2)O |
M END | M END | ||
| − | |||
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
-3.2738 0.8369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2738 0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5593 -0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8449 0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8449 0.8369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5593 1.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1304 -0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4160 0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4160 0.8369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1304 1.2494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1304 -1.1254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2982 1.2493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0264 0.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7545 1.2493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7545 2.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0264 2.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2982 2.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9880 1.2493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3761 -0.5039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5593 -1.2253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3247 -1.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8936 -2.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7227 -2.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5569 -2.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9880 -1.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1589 -2.1136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5459 -2.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4368 0.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0057 -0.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8348 -0.3979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6690 -0.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1001 0.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2710 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6374 -0.1040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6124 0.4663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6677 -0.0403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5021 -0.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9363 -1.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3161 -2.5220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1629 -2.9916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5569 -3.3511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5686 2.5602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0264 3.3511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5593 2.0741 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
8 19 1 0 0 0 0
3 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
28 34 1 0 0 0 0
33 35 1 0 0 0 0
32 36 1 0 0 0 0
31 37 1 0 0 0 0
25 38 1 0 0 0 0
37 38 1 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
24 41 1 0 0 0 0
29 19 1 0 0 0 0
42 15 1 0 0 0 0
16 43 1 0 0 0 0
6 44 1 0 0 0 0
S SKP 5
ID FL5FFCGL0002
FORMULA C27H30O17
EXACTMASS 626.148299534
AVERAGEMASS 626.5169000000001
SMILES C(OC(O5)C(C(O)C(O)C5C)O)C(O1)C(C(O)C(O)C1OC(=C2c(c4)ccc(c(O)4)O)C(=O)c(c(O)3)c(c(c(c3)O)O)O2)O
M END
