Mol:FL3FAADS0041
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 40 44 0 0 0 0 0 0 0 0999 V2000 | + | 40 44 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.9626 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9626 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2481 0.5566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2481 0.5566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4664 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4664 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4664 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4664 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2481 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2481 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9626 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9626 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.8953 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8953 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8953 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8953 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1808 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1808 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5410 0.5169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5410 0.5169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1808 -1.8329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1808 -1.8329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2481 -1.6655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2481 -1.6655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7443 0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7443 0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4588 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4588 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1733 0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1733 0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1733 1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1733 1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4588 1.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4588 1.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7443 1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7443 1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7885 1.7756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7885 1.7756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8457 -0.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8457 -0.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6175 -0.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6175 -0.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5397 0.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5397 0.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8914 0.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8914 0.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1195 0.6392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1195 0.6392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1972 -0.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1972 -0.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5938 -0.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5938 -0.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2431 -0.6720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2431 -0.6720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2448 -1.4838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2448 -1.4838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2896 -1.0380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2896 -1.0380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1436 -0.0876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1436 -0.0876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5039 -0.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5039 -0.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0914 -1.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0914 -1.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2933 -1.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2933 -1.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5001 -1.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5001 -1.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9125 -0.5303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9125 -0.5303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7107 -0.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7107 -0.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6073 -1.0889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6073 -1.0889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1436 -1.1524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1436 -1.1524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8871 -0.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8871 -0.0808 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 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 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 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 10 12 1 0 0 0 0 | + | 10 12 1 0 0 0 0 |
| − | 5 13 2 0 0 0 0 | + | 5 13 2 0 0 0 0 |
| − | 1 14 1 0 0 0 0 | + | 1 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 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 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 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 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 20 1 0 0 0 0 | + | 24 20 1 0 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
| − | 35 34 1 1 0 0 0 | + | 35 34 1 1 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 32 1 0 0 0 0 | + | 37 32 1 0 0 0 0 |
| − | 35 9 1 0 0 0 0 | + | 35 9 1 0 0 0 0 |
| − | 33 38 1 0 0 0 0 | + | 33 38 1 0 0 0 0 |
| − | 32 39 1 0 0 0 0 | + | 32 39 1 0 0 0 0 |
| − | 37 40 1 0 0 0 0 | + | 37 40 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAADS0041 | + | ID FL3FAADS0041 |
| − | KNApSAcK_ID C00014047 | + | KNApSAcK_ID C00014047 |
| − | NAME Rhamnellaflavoside C;6-C-beta-D-Epioliosylapigenin 4'-O-beta-D-glucopyranoside | + | NAME Rhamnellaflavoside C;6-C-beta-D-Epioliosylapigenin 4'-O-beta-D-glucopyranoside |
| − | CAS_RN 681287-10-5 | + | CAS_RN 681287-10-5 |
| − | FORMULA C27H30O13 | + | FORMULA C27H30O13 |
| − | EXACTMASS 562.168641046 | + | EXACTMASS 562.168641046 |
| − | AVERAGEMASS 562.5193 | + | AVERAGEMASS 562.5193 |
| − | SMILES OC(C5CO)C(O)C(C(O5)Oc(c1)ccc(C(O4)=CC(=O)c(c42)c(c(C(C3)OC(C(C(O)3)O)C)c(O)c2)O)c1)O | + | SMILES OC(C5CO)C(O)C(C(O5)Oc(c1)ccc(C(O4)=CC(=O)c(c42)c(c(C(C3)OC(C(C(O)3)O)C)c(O)c2)O)c1)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/
40 44 0 0 0 0 0 0 0 0999 V2000
0.9626 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2481 0.5566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4664 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4664 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2481 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9626 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1808 0.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8953 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8953 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1808 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5410 0.5169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1808 -1.8329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2481 -1.6655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7443 0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4588 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1733 0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1733 1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4588 1.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7443 1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7885 1.7756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8457 -0.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6175 -0.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5397 0.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8914 0.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1195 0.6392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1972 -0.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5938 -0.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2431 -0.6720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2448 -1.4838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2896 -1.0380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1436 -0.0876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5039 -0.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0914 -1.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2933 -1.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5001 -1.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9125 -0.5303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7107 -0.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6073 -1.0889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1436 -1.1524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8871 -0.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
3 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
8 11 1 0 0 0 0
10 12 1 0 0 0 0
5 13 2 0 0 0 0
1 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
17 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 20 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
35 9 1 0 0 0 0
33 38 1 0 0 0 0
32 39 1 0 0 0 0
37 40 1 0 0 0 0
S SKP 8
ID FL3FAADS0041
KNApSAcK_ID C00014047
NAME Rhamnellaflavoside C;6-C-beta-D-Epioliosylapigenin 4'-O-beta-D-glucopyranoside
CAS_RN 681287-10-5
FORMULA C27H30O13
EXACTMASS 562.168641046
AVERAGEMASS 562.5193
SMILES OC(C5CO)C(O)C(C(O5)Oc(c1)ccc(C(O4)=CC(=O)c(c42)c(c(C(C3)OC(C(C(O)3)O)C)c(O)c2)O)c1)O
M END
