Mol:FL5FCCGS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1428 0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1428 0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1428 -0.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1428 -0.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5865 -0.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5865 -0.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0302 -0.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0302 -0.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0302 0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0302 0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5865 0.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5865 0.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4739 -0.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4739 -0.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0824 -0.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0824 -0.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0824 0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0824 0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4739 0.9516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4739 0.9516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4739 -0.8340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4739 -0.8340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6385 0.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6385 0.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2055 0.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2055 0.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7725 0.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7725 0.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7725 1.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7725 1.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2055 1.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2055 1.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6385 1.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6385 1.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5865 -0.9752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5865 -0.9752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2568 2.0231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2568 2.0231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6385 -0.3330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6385 -0.3330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2055 2.5880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2055 2.5880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4509 -1.6596 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 1.4509 -1.6596 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 2.0791 -2.0223 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.0791 -2.0223 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.8798 -1.3248 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.8798 -1.3248 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 2.0791 -0.6231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0791 -0.6231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4509 -0.2603 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 1.4509 -0.2603 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.6502 -0.9579 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 1.6502 -0.9579 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.4205 -0.9579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4205 -0.9579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6123 -2.2618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6123 -2.2618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9276 -2.5880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9276 -2.5880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5000 -1.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5000 -1.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5000 1.2492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5000 1.2492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9999 2.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9999 2.1153 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 |
| − | 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 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 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 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 27 22 1 1 0 0 0 | + | 27 22 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 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 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 26 20 1 0 0 0 0 | + | 26 20 1 0 0 0 0 |
| − | 1 32 1 0 0 0 0 | + | 1 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 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 32 33 | + | M SAL 1 2 32 33 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 35 -2.5 1.2492 | + | M SVB 1 35 -2.5 1.2492 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FCCGS0003 | + | ID FL5FCCGS0003 |
| − | KNApSAcK_ID C00005507 | + | KNApSAcK_ID C00005507 |
| − | NAME Rhamnetin 3-rhamnoside | + | NAME Rhamnetin 3-rhamnoside |
| − | CAS_RN 20188-83-4 | + | CAS_RN 20188-83-4 |
| − | FORMULA C22H22O11 | + | FORMULA C22H22O11 |
| − | EXACTMASS 462.116211546 | + | EXACTMASS 462.116211546 |
| − | AVERAGEMASS 462.40348000000006 | + | AVERAGEMASS 462.40348000000006 |
| − | SMILES O[C@H]([C@H]1OC(C(=O)3)=C(c(c4)cc(c(O)c4)O)Oc(c32)cc(cc2O)OC)[C@@H]([C@H](O)C(C)O1)O | + | SMILES O[C@H]([C@H]1OC(C(=O)3)=C(c(c4)cc(c(O)c4)O)Oc(c32)cc(cc2O)OC)[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/
33 36 0 0 0 0 0 0 0 0999 V2000
-2.1428 0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1428 -0.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5865 -0.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0302 -0.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0302 0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5865 0.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4739 -0.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0824 -0.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0824 0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4739 0.9516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4739 -0.8340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6385 0.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2055 0.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7725 0.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7725 1.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2055 1.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6385 1.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5865 -0.9752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2568 2.0231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6385 -0.3330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2055 2.5880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4509 -1.6596 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.0791 -2.0223 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.8798 -1.3248 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.0791 -0.6231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4509 -0.2603 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.6502 -0.9579 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.4205 -0.9579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6123 -2.2618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9276 -2.5880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -1.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5000 1.2492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9999 2.1153 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
3 18 1 0 0 0 0
19 15 1 0 0 0 0
8 20 1 0 0 0 0
16 21 1 0 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
27 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
26 20 1 0 0 0 0
1 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 35
M SMT 1 OCH3
M SVB 1 35 -2.5 1.2492
S SKP 8
ID FL5FCCGS0003
KNApSAcK_ID C00005507
NAME Rhamnetin 3-rhamnoside
CAS_RN 20188-83-4
FORMULA C22H22O11
EXACTMASS 462.116211546
AVERAGEMASS 462.40348000000006
SMILES O[C@H]([C@H]1OC(C(=O)3)=C(c(c4)cc(c(O)c4)O)Oc(c32)cc(cc2O)OC)[C@@H]([C@H](O)C(C)O1)O
M END
