Mol:FL5FCAGS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1634 0.8352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1634 0.8352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1634 0.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1634 0.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6071 -0.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6071 -0.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0508 0.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0508 0.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0508 0.8352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0508 0.8352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6071 1.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6071 1.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4945 -0.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4945 -0.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0618 0.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0618 0.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0618 0.8352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0618 0.8352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4945 1.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4945 1.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4945 -0.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4945 -0.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6179 1.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6179 1.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1849 0.8289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1849 0.8289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7518 1.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7518 1.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7518 1.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7518 1.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1849 2.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1849 2.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6179 1.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6179 1.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4952 -0.2405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4952 -0.2405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6071 -0.7704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6071 -0.7704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3857 2.1770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3857 2.1770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4715 -1.2486 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 1.4715 -1.2486 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 2.0998 -1.6113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.0998 -1.6113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.9004 -0.9138 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.9004 -0.9138 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 2.0998 -0.2121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0998 -0.2121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4715 0.1507 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 1.4715 0.1507 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.6708 -0.5468 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 1.6708 -0.5468 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.4412 -0.5468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4412 -0.5468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6329 -1.8508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6329 -1.8508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9482 -2.1770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9482 -2.1770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5207 -1.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5207 -1.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5207 1.4540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5207 1.4540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0207 2.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0207 2.3200 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 |
| − | 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 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 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 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | 1 31 1 0 0 0 0 | + | 1 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 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 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 34 -2.5207 1.454 | + | M SVB 1 34 -2.5207 1.454 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FCAGS0002 | + | ID FL5FCAGS0002 |
| − | KNApSAcK_ID C00005272 | + | KNApSAcK_ID C00005272 |
| − | NAME Rhamnocitrin 3-rhamnoside | + | NAME Rhamnocitrin 3-rhamnoside |
| − | CAS_RN 57525-01-6 | + | CAS_RN 57525-01-6 |
| − | FORMULA C22H22O10 | + | FORMULA C22H22O10 |
| − | EXACTMASS 446.121296924 | + | EXACTMASS 446.121296924 |
| − | AVERAGEMASS 446.40408 | + | AVERAGEMASS 446.40408 |
| − | SMILES O[C@H]([C@H]1OC(C(=O)4)=C(Oc(c43)cc(cc3O)OC)c(c2)ccc(c2)O)[C@@H]([C@H](O)C(C)O1)O | + | SMILES O[C@H]([C@H]1OC(C(=O)4)=C(Oc(c43)cc(cc3O)OC)c(c2)ccc(c2)O)[C@@H]([C@H](O)C(C)O1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-2.1634 0.8352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1634 0.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6071 -0.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0508 0.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0508 0.8352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6071 1.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4945 -0.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0618 0.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0618 0.8352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4945 1.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4945 -0.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6179 1.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1849 0.8289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7518 1.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7518 1.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1849 2.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6179 1.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4952 -0.2405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6071 -0.7704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3857 2.1770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4715 -1.2486 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.0998 -1.6113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.9004 -0.9138 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.0998 -0.2121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4715 0.1507 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.6708 -0.5468 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.4412 -0.5468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6329 -1.8508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9482 -2.1770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5207 -1.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5207 1.4540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0207 2.3200 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
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
8 18 1 0 0 0 0
3 19 1 0 0 0 0
20 15 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 18 1 0 0 0 0
1 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 OCH3
M SVB 1 34 -2.5207 1.454
S SKP 8
ID FL5FCAGS0002
KNApSAcK_ID C00005272
NAME Rhamnocitrin 3-rhamnoside
CAS_RN 57525-01-6
FORMULA C22H22O10
EXACTMASS 446.121296924
AVERAGEMASS 446.40408
SMILES O[C@H]([C@H]1OC(C(=O)4)=C(Oc(c43)cc(cc3O)OC)c(c2)ccc(c2)O)[C@@H]([C@H](O)C(C)O1)O
M END
