Mol:FL2FA9GS0005
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 |
| − | 0.1416 1.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1416 1.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1416 0.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1416 0.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8426 0.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8426 0.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5436 0.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5436 0.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5436 1.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5436 1.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8426 1.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8426 1.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2447 0.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2447 0.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9457 0.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9457 0.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9457 1.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9457 1.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2447 1.7728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2447 1.7728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6465 1.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6465 1.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3610 1.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3610 1.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0756 1.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0756 1.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0756 2.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0756 2.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3610 3.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3610 3.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6465 2.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6465 2.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2447 -0.5315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2447 -0.5315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5592 1.7726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5592 1.7726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8426 -0.6554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8426 -0.6554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8472 1.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8472 1.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4984 1.9564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4984 1.9564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2986 1.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2986 1.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2195 1.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2195 1.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5683 0.8488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5683 0.8488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7681 1.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7681 1.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3081 0.8475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3081 0.8475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7681 1.2851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7681 1.2851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0141 0.7985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0141 0.7985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3683 -0.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3683 -0.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8796 -0.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8796 -0.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8194 -0.3291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8194 -0.3291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7651 -0.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7651 -0.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2539 -0.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2539 -0.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3139 -0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3139 -0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5268 -0.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5268 -0.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7584 -0.6156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7584 -0.6156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9462 -1.3676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9462 -1.3676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9462 -2.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9462 -2.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9462 -3.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9462 -3.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1965 -2.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1965 -2.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3813 -1.6398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3813 -1.6398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8703 1.9113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8703 1.9113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0756 2.2794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0756 2.2794 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 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 18 1 0 0 0 0 | + | 20 18 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 20 25 1 1 0 0 0 | + | 20 25 1 1 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 30 29 1 1 0 0 0 | + | 30 29 1 1 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 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
| − | 29 34 1 1 0 0 0 | + | 29 34 1 1 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 32 35 1 0 0 0 0 | + | 32 35 1 0 0 0 0 |
| − | 33 36 1 0 0 0 0 | + | 33 36 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 38 40 2 0 0 0 0 | + | 38 40 2 0 0 0 0 |
| − | 29 41 1 0 0 0 0 | + | 29 41 1 0 0 0 0 |
| − | 34 37 1 0 0 0 0 | + | 34 37 1 0 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | 22 42 1 0 0 0 0 | + | 22 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 0.5717 -0.4110 | + | M SBV 1 47 0.5717 -0.4110 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL2FA9GS0005 | + | ID FL2FA9GS0005 |
| − | FORMULA C29H34O14 | + | FORMULA C29H34O14 |
| − | EXACTMASS 606.194855796 | + | EXACTMASS 606.194855796 |
| − | AVERAGEMASS 606.57186 | + | AVERAGEMASS 606.57186 |
| − | SMILES C(C(C)1)(C(OC(C)=O)C(C(OC(C5O)C(OC(C5O)CO)Oc(c4)cc(O2)c(c(O)4)C(CC(c(c3)cccc3)2)=O)O1)O)O | + | SMILES C(C(C)1)(C(OC(C)=O)C(C(OC(C5O)C(OC(C5O)CO)Oc(c4)cc(O2)c(c(O)4)C(CC(c(c3)cccc3)2)=O)O1)O)O |
M END | M END | ||
| − | |||
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
0.1416 1.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1416 0.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8426 0.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5436 0.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5436 1.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8426 1.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2447 0.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9457 0.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9457 1.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2447 1.7728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6465 1.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3610 1.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0756 1.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0756 2.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3610 3.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6465 2.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2447 -0.5315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5592 1.7726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8426 -0.6554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8472 1.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4984 1.9564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2986 1.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2195 1.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5683 0.8488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7681 1.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3081 0.8475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7681 1.2851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0141 0.7985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3683 -0.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8796 -0.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8194 -0.3291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7651 -0.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2539 -0.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3139 -0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5268 -0.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7584 -0.6156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9462 -1.3676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9462 -2.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9462 -3.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1965 -2.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3813 -1.6398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8703 1.9113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0756 2.2794 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 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 11 1 0 0 0 0
7 17 2 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
20 18 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
20 25 1 1 0 0 0
24 26 1 0 0 0 0
23 27 1 0 0 0 0
25 28 1 0 0 0 0
30 29 1 1 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 1 0 0 0
29 34 1 1 0 0 0
28 30 1 0 0 0 0
32 35 1 0 0 0 0
33 36 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
38 40 2 0 0 0 0
29 41 1 0 0 0 0
34 37 1 0 0 0 0
42 43 1 0 0 0 0
22 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 0.5717 -0.4110
S SKP 5
ID FL2FA9GS0005
FORMULA C29H34O14
EXACTMASS 606.194855796
AVERAGEMASS 606.57186
SMILES C(C(C)1)(C(OC(C)=O)C(C(OC(C5O)C(OC(C5O)CO)Oc(c4)cc(O2)c(c(O)4)C(CC(c(c3)cccc3)2)=O)O1)O)O
M END
