Mol:FL63AAGS0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9540 0.8303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9540 0.8303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9540 0.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9540 0.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4360 -0.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4360 -0.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9180 0.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9180 0.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9180 0.8303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9180 0.8303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4360 1.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4360 1.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4000 -0.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4000 -0.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1180 0.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1180 0.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1180 0.8303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1180 0.8303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4000 1.1294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4000 1.1294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6360 1.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6360 1.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1583 0.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1583 0.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6806 1.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6806 1.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6806 1.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6806 1.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1583 2.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1583 2.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6360 1.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6360 1.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1805 2.0211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1805 2.0211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4720 1.1294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4720 1.1294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6360 -0.0669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6360 -0.0669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4360 -0.6636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4360 -0.6636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5779 -1.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5779 -1.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1133 -1.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1133 -1.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9434 -0.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9434 -0.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1133 -0.3594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1133 -0.3594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5779 -0.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5779 -0.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7477 -0.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7477 -0.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4042 -0.6447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4042 -0.6447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7154 -1.7560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7154 -1.7560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9841 -2.0340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9841 -2.0340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4720 -1.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4720 -1.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 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 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 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 1 0 0 0 0 | + | 8 9 1 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 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 17 14 1 0 0 0 0 | + | 17 14 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 8 19 1 1 0 0 0 | + | 8 19 1 1 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 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 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 26 21 1 1 0 0 0 | + | 26 21 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 21 28 1 0 0 0 0 | + | 21 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 25 19 1 0 0 0 0 | + | 25 19 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL63AAGS0005 | + | ID FL63AAGS0005 |
| − | KNApSAcK_ID C00008834 | + | KNApSAcK_ID C00008834 |
| − | NAME Afzelechin 3-O-alpha-L-rhamnopyranoside | + | NAME Afzelechin 3-O-alpha-L-rhamnopyranoside |
| − | CAS_RN 142741-31-9 | + | CAS_RN 142741-31-9 |
| − | FORMULA C21H24O9 | + | FORMULA C21H24O9 |
| − | EXACTMASS 420.14203236599997 | + | EXACTMASS 420.14203236599997 |
| − | AVERAGEMASS 420.40986 | + | AVERAGEMASS 420.40986 |
| − | SMILES c(c4)c(ccc(O)4)C(C(OC(O3)C(O)C(O)C(O)C(C)3)1)Oc(c2)c(c(cc(O)2)O)C1 | + | SMILES c(c4)c(ccc(O)4)C(C(OC(O3)C(O)C(O)C(O)C(C)3)1)Oc(c2)c(c(cc(O)2)O)C1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-1.9540 0.8303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9540 0.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4360 -0.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9180 0.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9180 0.8303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4360 1.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4000 -0.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1180 0.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1180 0.8303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4000 1.1294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6360 1.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1583 0.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6806 1.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6806 1.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1583 2.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6360 1.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1805 2.0211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4720 1.1294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6360 -0.0669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4360 -0.6636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5779 -1.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1133 -1.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9434 -0.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1133 -0.3594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5779 -0.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7477 -0.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4042 -0.6447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7154 -1.7560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9841 -2.0340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4720 -1.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 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 2 0 0 0 0
6 1 1 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 6 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
17 14 1 0 0 0 0
1 18 1 0 0 0 0
8 19 1 1 0 0 0
3 20 1 0 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
26 21 1 1 0 0 0
26 27 1 0 0 0 0
21 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
25 19 1 0 0 0 0
S SKP 8
ID FL63AAGS0005
KNApSAcK_ID C00008834
NAME Afzelechin 3-O-alpha-L-rhamnopyranoside
CAS_RN 142741-31-9
FORMULA C21H24O9
EXACTMASS 420.14203236599997
AVERAGEMASS 420.40986
SMILES c(c4)c(ccc(O)4)C(C(OC(O3)C(O)C(O)C(O)C(C)3)1)Oc(c2)c(c(cc(O)2)O)C1
M END
