Mol:FL5FDBGS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.8097 0.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8097 0.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8097 -0.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8097 -0.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2534 -0.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2534 -0.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3029 -0.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3029 -0.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3029 0.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3029 0.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2534 0.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2534 0.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8592 -0.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8592 -0.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4155 -0.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4155 -0.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4155 0.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4155 0.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8592 0.4531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8592 0.4531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8592 -1.8316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8592 -1.8316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9716 0.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9716 0.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5386 0.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5386 0.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1056 0.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1056 0.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1056 1.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1056 1.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5386 1.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5386 1.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9716 1.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9716 1.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3658 0.4530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3658 0.4530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2534 -1.4737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2534 -1.4737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0890 0.4207 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -4.0890 0.4207 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -3.5734 -0.2599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -3.5734 -0.2599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.8309 0.0288 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.8309 0.0288 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.1145 0.0366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.1145 0.0366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.6351 0.5573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6351 0.5573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2847 0.2145 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -3.2847 0.2145 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -4.4538 0.6314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4538 0.6314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3772 -0.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3772 -0.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4055 -0.6853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4055 -0.6853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7395 1.4737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7395 1.4737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4540 1.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4540 1.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8140 -1.3422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8140 -1.3422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2461 -2.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2461 -2.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4850 1.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4850 1.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7512 1.7760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7512 1.7760 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 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 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 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 18 1 0 0 0 0 | + | 23 18 1 0 0 0 0 |
| − | 15 29 1 0 0 0 0 | + | 15 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 8 31 1 0 0 0 0 | + | 8 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 25 33 1 0 0 0 0 | + | 25 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 33 34 | + | M SAL 3 2 33 34 |
| − | M SBL 3 1 36 | + | M SBL 3 1 36 |
| − | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
| − | M SVB 3 36 -3.485 1.0967 | + | M SVB 3 36 -3.485 1.0967 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 31 32 | + | M SAL 2 2 31 32 |
| − | M SBL 2 1 34 | + | M SBL 2 1 34 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 34 1.814 -1.3422 | + | M SVB 2 34 1.814 -1.3422 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 32 3.7395 1.4737 | + | M SVB 1 32 3.7395 1.4737 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FDBGS0001 | + | ID FL5FDBGS0001 |
| − | KNApSAcK_ID C00005298 | + | KNApSAcK_ID C00005298 |
| − | NAME Ermanin 7-glucoside | + | NAME Ermanin 7-glucoside |
| − | CAS_RN 41756-09-6 | + | CAS_RN 41756-09-6 |
| − | FORMULA C23H24O11 | + | FORMULA C23H24O11 |
| − | EXACTMASS 476.13186161 | + | EXACTMASS 476.13186161 |
| − | AVERAGEMASS 476.43006 | + | AVERAGEMASS 476.43006 |
| − | SMILES c(c1)(O3)c(C(C(OC)=C3c(c4)ccc(OC)c4)=O)c(O)cc1O[C@@H]([C@H]2O)OC(CO)[C@@H]([C@@H]2O)O | + | SMILES c(c1)(O3)c(C(C(OC)=C3c(c4)ccc(OC)c4)=O)c(O)cc1O[C@@H]([C@H]2O)OC(CO)[C@@H]([C@@H]2O)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-0.8097 0.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8097 -0.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2534 -0.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3029 -0.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3029 0.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2534 0.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8592 -0.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4155 -0.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4155 0.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8592 0.4531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8592 -1.8316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9716 0.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5386 0.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1056 0.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1056 1.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5386 1.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9716 1.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3658 0.4530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2534 -1.4737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0890 0.4207 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.5734 -0.2599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8309 0.0288 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1145 0.0366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.6351 0.5573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2847 0.2145 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-4.4538 0.6314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3772 -0.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4055 -0.6853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7395 1.4737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4540 1.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8140 -1.3422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2461 -2.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4850 1.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7512 1.7760 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
3 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 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 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 18 1 0 0 0 0
15 29 1 0 0 0 0
29 30 1 0 0 0 0
8 31 1 0 0 0 0
31 32 1 0 0 0 0
25 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 33 34
M SBL 3 1 36
M SMT 3 CH2OH
M SVB 3 36 -3.485 1.0967
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 31 32
M SBL 2 1 34
M SMT 2 OCH3
M SVB 2 34 1.814 -1.3422
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 32
M SMT 1 OCH3
M SVB 1 32 3.7395 1.4737
S SKP 8
ID FL5FDBGS0001
KNApSAcK_ID C00005298
NAME Ermanin 7-glucoside
CAS_RN 41756-09-6
FORMULA C23H24O11
EXACTMASS 476.13186161
AVERAGEMASS 476.43006
SMILES c(c1)(O3)c(C(C(OC)=C3c(c4)ccc(OC)c4)=O)c(O)cc1O[C@@H]([C@H]2O)OC(CO)[C@@H]([C@@H]2O)O
M END
