Mol:FL5FEGNS0013
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 31 0 0 0 0 0 0 0 0999 V2000 | + | 29 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4797 -1.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4797 -1.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9338 -1.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9338 -1.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5543 -1.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5543 -1.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7206 -2.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7206 -2.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2664 -2.5990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2664 -2.5990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6459 -2.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6459 -2.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3411 -2.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3411 -2.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5073 -2.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5073 -2.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0531 -3.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0531 -3.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4326 -3.2195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4326 -3.2195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6952 -1.9569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6952 -1.9569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2193 -4.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2193 -4.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8517 -4.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8517 -4.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0211 -4.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0211 -4.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5581 -5.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5581 -5.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9258 -5.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9258 -5.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7563 -4.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7563 -4.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0084 -1.0703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0084 -1.0703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2652 -5.9779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2652 -5.9779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2961 -1.0232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2961 -1.0232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1180 -1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1180 -1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7895 -1.9972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7895 -1.9972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1765 -2.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1765 -2.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4732 -3.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4732 -3.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.4391 -3.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4391 -3.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9870 -5.0666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9870 -5.0666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.9529 -5.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.9529 -5.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7189 -5.7091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7189 -5.7091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3965 -6.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3965 -6.6557 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 |
| − | 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 8 24 1 0 0 0 0 | + | 8 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 14 26 1 0 0 0 0 | + | 14 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 16 28 1 0 0 0 0 | + | 16 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | M STY 1 5 SUP | + | M STY 1 5 SUP |
| − | M SLB 1 5 5 | + | M SLB 1 5 5 |
| − | M SAL 5 2 28 29 | + | M SAL 5 2 28 29 |
| − | M SBL 5 1 30 | + | M SBL 5 1 30 |
| − | M SMT 5 OCH3 | + | M SMT 5 OCH3 |
| − | M SVB 5 30 1.5693 1.7424 | + | M SVB 5 30 1.5693 1.7424 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 26 27 | + | M SAL 4 2 26 27 |
| − | M SBL 4 1 28 | + | M SBL 4 1 28 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 28 2.0624 -0.022 | + | M SVB 4 28 2.0624 -0.022 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 24 25 | + | M SAL 3 2 24 25 |
| − | M SBL 3 1 26 | + | M SBL 3 1 26 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 26 0.3617 -0.9854 | + | M SVB 3 26 0.3617 -0.9854 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 24 -2.4197 0.482 | + | M SVB 2 24 -2.4197 0.482 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 22 -2.7769 -0.6877 | + | M SVB 1 22 -2.7769 -0.6877 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FEGNS0013 | + | ID FL5FEGNS0013 |
| − | KNApSAcK_ID C00004833 | + | KNApSAcK_ID C00004833 |
| − | NAME Murrayanol | + | NAME Murrayanol |
| − | CAS_RN 76444-62-7 | + | CAS_RN 76444-62-7 |
| − | FORMULA C20H20O9 | + | FORMULA C20H20O9 |
| − | EXACTMASS 404.11073223799997 | + | EXACTMASS 404.11073223799997 |
| − | AVERAGEMASS 404.3674 | + | AVERAGEMASS 404.3674 |
| − | SMILES c(c3OC)(OC)cc(O1)c(c3O)C(C(=C1c(c2)cc(OC)c(O)c2OC)OC)=O | + | SMILES c(c3OC)(OC)cc(O1)c(c3O)C(C(=C1c(c2)cc(OC)c(O)c2OC)OC)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 31 0 0 0 0 0 0 0 0999 V2000
-1.4797 -1.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9338 -1.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5543 -1.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7206 -2.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2664 -2.5990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6459 -2.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3411 -2.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5073 -2.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0531 -3.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4326 -3.2195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6952 -1.9569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2193 -4.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8517 -4.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0211 -4.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5581 -5.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9258 -5.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7563 -4.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0084 -1.0703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2652 -5.9779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2961 -1.0232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1180 -1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7895 -1.9972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1765 -2.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4732 -3.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4391 -3.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9870 -5.0666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9529 -5.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7189 -5.7091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3965 -6.6557 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
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
3 18 1 0 0 0 0
15 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
8 24 1 0 0 0 0
24 25 1 0 0 0 0
14 26 1 0 0 0 0
26 27 1 0 0 0 0
16 28 1 0 0 0 0
28 29 1 0 0 0 0
M STY 1 5 SUP
M SLB 1 5 5
M SAL 5 2 28 29
M SBL 5 1 30
M SMT 5 OCH3
M SVB 5 30 1.5693 1.7424
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 26 27
M SBL 4 1 28
M SMT 4 OCH3
M SVB 4 28 2.0624 -0.022
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 24 25
M SBL 3 1 26
M SMT 3 OCH3
M SVB 3 26 0.3617 -0.9854
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 -2.4197 0.482
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 -2.7769 -0.6877
S SKP 8
ID FL5FEGNS0013
KNApSAcK_ID C00004833
NAME Murrayanol
CAS_RN 76444-62-7
FORMULA C20H20O9
EXACTMASS 404.11073223799997
AVERAGEMASS 404.3674
SMILES c(c3OC)(OC)cc(O1)c(c3O)C(C(=C1c(c2)cc(OC)c(O)c2OC)OC)=O
M END
