Mol:FL3FCBCS0009
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 |
| − | -0.9066 0.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9066 0.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9066 -0.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9066 -0.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1921 -0.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1921 -0.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5223 -0.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5223 -0.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5223 0.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5223 0.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1921 0.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1921 0.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2367 -0.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2367 -0.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9511 -0.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9511 -0.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9511 0.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9511 0.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2367 0.8556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2367 0.8556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2367 -1.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2367 -1.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1921 -1.6190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1921 -1.6190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8243 0.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8243 0.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5771 0.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5771 0.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3300 0.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3300 0.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3300 1.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3300 1.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5771 2.2918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5771 2.2918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8243 1.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8243 1.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7939 -0.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7939 -0.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1316 -0.9425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1316 -0.9425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4694 -0.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4694 -0.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5689 -0.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5689 -0.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2046 -0.0685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2046 -0.0685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9197 -0.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9197 -0.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7059 0.4435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7059 0.4435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8521 -1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8521 -1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9263 -1.0079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9263 -1.0079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3249 -1.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3249 -1.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6626 -2.2632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6626 -2.2632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0005 -1.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0005 -1.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1000 -1.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1000 -1.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7357 -1.3891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7357 -1.3891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4507 -1.7334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4507 -1.7334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.9230 -1.8670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.9230 -1.8670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3006 -2.3499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3006 -2.3499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3749 -2.3492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3749 -2.3492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0396 -1.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0396 -1.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.9999 -0.8028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.9999 -0.8028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3653 1.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3653 1.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0074 2.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0074 2.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0824 2.2916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0824 2.2916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9999 1.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9999 1.7618 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 |
| − | 3 12 1 0 0 0 0 | + | 3 12 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 13 1 0 0 0 0 |
| − | 19 20 1 1 0 0 0 | + | 19 20 1 1 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 28 29 1 1 0 0 0 | + | 28 29 1 1 0 0 0 |
| − | 29 30 1 1 0 0 0 | + | 29 30 1 1 0 0 0 |
| − | 31 30 1 1 0 0 0 | + | 31 30 1 1 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 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 |
| − | 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 27 1 0 0 0 0 | + | 31 27 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 33 37 1 0 0 0 0 | + | 33 37 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 1 39 1 0 0 0 0 | + | 1 39 1 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 16 41 1 0 0 0 0 | + | 16 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 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 0.5889 -0.4828 | + | M SBV 1 42 0.5889 -0.4828 |
| − | 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 ^ OCH3 | + | M SMT 2 ^ OCH3 |
| − | M SBV 2 44 0.4587 -0.7946 | + | M SBV 2 44 0.4587 -0.7946 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 41 42 | + | M SAL 3 2 41 42 |
| − | M SBL 3 1 46 | + | M SBL 3 1 46 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SBV 3 46 -0.7524 -0.4344 | + | M SBV 3 46 -0.7524 -0.4344 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FCBCS0009 | + | ID FL3FCBCS0009 |
| − | FORMULA C28H32O14 | + | FORMULA C28H32O14 |
| − | EXACTMASS 592.179205732 | + | EXACTMASS 592.179205732 |
| − | AVERAGEMASS 592.54528 | + | AVERAGEMASS 592.54528 |
| − | SMILES O(C)c(c1)ccc(C(=C2)Oc(c3)c(c(c(C(O5)C(C(O)C(O)C5)OC(O4)C(C(C(C(CO)4)O)O)O)c3OC)O)C2=O)c1 | + | SMILES O(C)c(c1)ccc(C(=C2)Oc(c3)c(c(c(C(O5)C(C(O)C(O)C5)OC(O4)C(C(C(C(CO)4)O)O)O)c3OC)O)C2=O)c1 |
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
-0.9066 0.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9066 -0.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1921 -0.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5223 -0.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5223 0.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1921 0.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2367 -0.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9511 -0.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9511 0.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2367 0.8556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2367 -1.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1921 -1.6190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8243 0.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5771 0.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3300 0.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3300 1.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5771 2.2918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8243 1.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7939 -0.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1316 -0.9425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4694 -0.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5689 -0.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2046 -0.0685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9197 -0.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7059 0.4435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8521 -1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9263 -1.0079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3249 -1.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6626 -2.2632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0005 -1.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1000 -1.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7357 -1.3891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4507 -1.7334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9230 -1.8670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3006 -2.3499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3749 -2.3492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0396 -1.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9999 -0.8028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3653 1.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0074 2.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0824 2.2916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9999 1.7618 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
3 12 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
9 13 1 0 0 0 0
19 20 1 1 0 0 0
20 21 1 1 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
20 26 1 0 0 0 0
2 22 1 0 0 0 0
21 27 1 0 0 0 0
28 29 1 1 0 0 0
29 30 1 1 0 0 0
31 30 1 1 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
28 34 1 0 0 0 0
29 35 1 0 0 0 0
30 36 1 0 0 0 0
31 27 1 0 0 0 0
37 38 1 0 0 0 0
33 37 1 0 0 0 0
39 40 1 0 0 0 0
1 39 1 0 0 0 0
41 42 1 0 0 0 0
16 41 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 0.5889 -0.4828
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 39 40
M SBL 2 1 44
M SMT 2 ^ OCH3
M SBV 2 44 0.4587 -0.7946
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 41 42
M SBL 3 1 46
M SMT 3 OCH3
M SBV 3 46 -0.7524 -0.4344
S SKP 5
ID FL3FCBCS0009
FORMULA C28H32O14
EXACTMASS 592.179205732
AVERAGEMASS 592.54528
SMILES O(C)c(c1)ccc(C(=C2)Oc(c3)c(c(c(C(O5)C(C(O)C(O)C5)OC(O4)C(C(C(C(CO)4)O)O)O)c3OC)O)C2=O)c1
M END
