Mol:FL5FACGI0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 39 42 0 0 0 0 0 0 0 0999 V2000 | + | 39 42 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.1593 -0.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1593 -0.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1593 -0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1593 -0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3970 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3970 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9533 -0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9533 -0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9533 -0.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9533 -0.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3970 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3970 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5096 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5096 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0659 -0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0659 -0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0659 -0.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0659 -0.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5096 0.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5096 0.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5096 -1.7022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5096 -1.7022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7664 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7664 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3334 -0.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3334 -0.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9004 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9004 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9004 0.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9004 0.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3334 1.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3334 1.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7664 0.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7664 0.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3970 -1.8435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3970 -1.8435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5072 1.2120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5072 1.2120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6542 0.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6542 0.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6292 -1.2897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6292 -1.2897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3334 1.8435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3334 1.8435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0038 -0.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0038 -0.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5614 -0.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5614 -0.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9243 -0.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9243 -0.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3096 -0.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3096 -0.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7563 0.0019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7563 0.0019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3136 -0.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3136 -0.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6162 -0.4689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6162 -0.4689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2510 -0.7329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2510 -0.7329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5593 -1.0643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5593 -1.0643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8809 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8809 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7272 0.8488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7272 0.8488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1152 1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1152 1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9681 1.7856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9681 1.7856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7480 1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7480 1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0331 1.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0331 1.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5072 1.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5072 1.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0378 0.7350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0378 0.7350 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 |
| − | 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 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 21 8 1 0 0 0 0 | + | 21 8 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 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 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 26 20 1 0 0 0 0 | + | 26 20 1 0 0 0 0 |
| − | 28 32 1 0 0 0 0 | + | 28 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
| − | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
| − | 36 37 2 0 0 0 0 | + | 36 37 2 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 36 39 1 0 0 0 0 | + | 36 39 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FACGI0001 | + | ID FL5FACGI0001 |
| − | KNApSAcK_ID C00005969 | + | KNApSAcK_ID C00005969 |
| − | NAME Quercetin 7-(6''-tiglylglucoside) | + | NAME Quercetin 7-(6''-tiglylglucoside) |
| − | CAS_RN 56365-37-8 | + | CAS_RN 56365-37-8 |
| − | FORMULA C26H26O13 | + | FORMULA C26H26O13 |
| − | EXACTMASS 546.137340918 | + | EXACTMASS 546.137340918 |
| − | AVERAGEMASS 546.4768399999999 | + | AVERAGEMASS 546.4768399999999 |
| − | SMILES C(=CC)(C(OCC(C(O)1)OC(Oc(c2)cc(O)c(C3=O)c2OC(c(c4)ccc(c4O)O)=C3O)C(O)C1O)=O)C | + | SMILES C(=CC)(C(OCC(C(O)1)OC(Oc(c2)cc(O)c(C3=O)c2OC(c(c4)ccc(c4O)O)=C3O)C(O)C1O)=O)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
39 42 0 0 0 0 0 0 0 0999 V2000
-0.1593 -0.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1593 -0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3970 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9533 -0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9533 -0.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3970 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5096 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0659 -0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0659 -0.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5096 0.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5096 -1.7022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7664 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3334 -0.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9004 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9004 0.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3334 1.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7664 0.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3970 -1.8435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5072 1.2120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6542 0.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6292 -1.2897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3334 1.8435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0038 -0.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5614 -0.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9243 -0.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3096 -0.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7563 0.0019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3136 -0.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6162 -0.4689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2510 -0.7329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5593 -1.0643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8809 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7272 0.8488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1152 1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9681 1.7856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7480 1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0331 1.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5072 1.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0378 0.7350 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
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
19 15 1 0 0 0 0
20 1 1 0 0 0 0
21 8 1 0 0 0 0
4 3 1 0 0 0 0
16 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
26 20 1 0 0 0 0
28 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 2 0 0 0 0
34 36 1 0 0 0 0
36 37 2 0 0 0 0
37 38 1 0 0 0 0
36 39 1 0 0 0 0
S SKP 8
ID FL5FACGI0001
KNApSAcK_ID C00005969
NAME Quercetin 7-(6''-tiglylglucoside)
CAS_RN 56365-37-8
FORMULA C26H26O13
EXACTMASS 546.137340918
AVERAGEMASS 546.4768399999999
SMILES C(=CC)(C(OCC(C(O)1)OC(Oc(c2)cc(O)c(C3=O)c2OC(c(c4)ccc(c4O)O)=C3O)C(O)C1O)=O)C
M END
