Mol:FL5FFCGL0001
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 |
| − | -2.7185 0.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7185 0.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7185 -0.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7185 -0.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1622 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1622 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6059 -0.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6059 -0.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6059 0.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6059 0.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1622 0.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1622 0.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0496 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0496 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4933 -0.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4933 -0.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4933 0.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4933 0.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0496 0.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0496 0.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0496 -1.4215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0496 -1.4215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0628 0.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0628 0.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6297 0.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6297 0.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1967 0.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1967 0.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1967 1.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1967 1.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6297 1.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6297 1.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0628 1.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0628 1.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2746 0.3639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2746 0.3639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1548 -1.1498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1548 -1.1498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2002 -0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2002 -0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8126 -1.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8126 -1.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5580 -1.1168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5580 -1.1168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3080 -1.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3080 -1.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6957 -0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6957 -0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9502 -0.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9502 -0.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4731 -0.8532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4731 -0.8532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2190 -0.4058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2190 -0.4058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2746 -0.9927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2746 -0.9927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7635 1.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7635 1.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1622 -1.5628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1622 -1.5628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6297 2.0004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6297 2.0004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1622 1.0061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1622 1.0061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9147 -2.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9147 -2.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1178 -1.7869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1178 -1.7869 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 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 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 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 21 19 1 0 0 0 0 | + | 21 19 1 0 0 0 0 |
| − | 19 8 1 0 0 0 0 | + | 19 8 1 0 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 15 29 1 0 0 0 0 | + | 15 29 1 0 0 0 0 |
| − | 3 30 1 0 0 0 0 | + | 3 30 1 0 0 0 0 |
| − | 16 31 1 0 0 0 0 | + | 16 31 1 0 0 0 0 |
| − | 6 32 1 0 0 0 0 | + | 6 32 1 0 0 0 0 |
| − | 23 33 1 0 0 0 0 | + | 23 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 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 33 34 | + | M SAL 1 2 33 34 |
| − | M SBL 1 1 36 | + | M SBL 1 1 36 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 36 -4.5208 4.8379 | + | M SBV 1 36 -4.5208 4.8379 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FFCGL0001 | + | ID FL5FFCGL0001 |
| − | KNApSAcK_ID C00005686 | + | KNApSAcK_ID C00005686 |
| − | NAME Gossypetin 3-glucoside | + | NAME Gossypetin 3-glucoside |
| − | CAS_RN 38965-52-5 | + | CAS_RN 38965-52-5 |
| − | FORMULA C21H20O13 | + | FORMULA C21H20O13 |
| − | EXACTMASS 480.090390726 | + | EXACTMASS 480.090390726 |
| − | AVERAGEMASS 480.37569999999994 | + | AVERAGEMASS 480.37569999999994 |
| − | SMILES c(c42)(c(O)c(O)cc4O)OC(=C(OC(C(O)3)OC(CO)C(O)C3O)C2=O)c(c1)cc(c(O)c1)O | + | SMILES c(c42)(c(O)c(O)cc4O)OC(=C(OC(C(O)3)OC(CO)C(O)C3O)C2=O)c(c1)cc(c(O)c1)O |
M END | M END | ||
| − | |||
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
-2.7185 0.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7185 -0.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1622 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6059 -0.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6059 0.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1622 0.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0496 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4933 -0.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4933 0.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0496 0.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0496 -1.4215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0628 0.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6297 0.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1967 0.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1967 1.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6297 1.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0628 1.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2746 0.3639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1548 -1.1498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2002 -0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8126 -1.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5580 -1.1168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3080 -1.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6957 -0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9502 -0.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4731 -0.8532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2190 -0.4058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2746 -0.9927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7635 1.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1622 -1.5628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6297 2.0004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1622 1.0061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9147 -2.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1178 -1.7869 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
20 21 1 0 0 0 0
21 22 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
21 19 1 0 0 0 0
19 8 1 0 0 0 0
23 22 1 1 0 0 0
15 29 1 0 0 0 0
3 30 1 0 0 0 0
16 31 1 0 0 0 0
6 32 1 0 0 0 0
23 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 33 34
M SBL 1 1 36
M SMT 1 CH2OH
M SBV 1 36 -4.5208 4.8379
S SKP 8
ID FL5FFCGL0001
KNApSAcK_ID C00005686
NAME Gossypetin 3-glucoside
CAS_RN 38965-52-5
FORMULA C21H20O13
EXACTMASS 480.090390726
AVERAGEMASS 480.37569999999994
SMILES c(c42)(c(O)c(O)cc4O)OC(=C(OC(C(O)3)OC(CO)C(O)C3O)C2=O)c(c1)cc(c(O)c1)O
M END
