Mol:FL3FCCGS0002
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | -2.7121 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7121 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7121 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7121 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2610 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2610 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8100 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8100 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8100 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8100 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2610 0.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2610 0.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3589 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3589 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9078 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9078 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9078 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9078 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3589 0.1173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3589 0.1173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1872 -1.2923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1872 -1.2923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4569 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4569 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0028 -0.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0028 -0.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4625 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4625 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4625 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4625 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0028 0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0028 0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4569 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4569 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2610 -1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2610 -1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0028 1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0028 1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0527 0.9888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0527 0.9888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0202 -0.4431 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 2.0202 -0.4431 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 2.6484 -0.8058 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.6484 -0.8058 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.4491 -0.1083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 2.4491 -0.1083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 2.6484 0.5934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6484 0.5934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0202 0.9562 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.0202 0.9562 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.2195 0.2587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.2195 0.2587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.9898 0.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9898 0.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1816 -1.0453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1816 -1.0453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4969 -1.3715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4969 -1.3715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0693 -0.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0693 -0.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0693 0.4756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0693 0.4756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5692 1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5692 1.3417 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 |
| − | 16 19 1 0 0 0 0 | + | 16 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 20 1 0 0 0 0 | + | 25 20 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 -3.0693 0.4756 | + | M SVB 1 34 -3.0693 0.4756 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FCCGS0002 | + | ID FL3FCCGS0002 |
| − | KNApSAcK_ID C00004334 | + | KNApSAcK_ID C00004334 |
| − | NAME Luteolin 7-methyl ether 4'-rhamnoside | + | NAME Luteolin 7-methyl ether 4'-rhamnoside |
| − | CAS_RN 31159-36-1 | + | CAS_RN 31159-36-1 |
| − | FORMULA C22H22O10 | + | FORMULA C22H22O10 |
| − | EXACTMASS 446.121296924 | + | EXACTMASS 446.121296924 |
| − | AVERAGEMASS 446.40408 | + | AVERAGEMASS 446.40408 |
| − | SMILES O([C@@H]1Oc(c(O)2)ccc(C(O4)=CC(c(c34)c(cc(c3)OC)O)=O)c2)C([C@@H](O)[C@H]([C@@H]1O)O)C | + | SMILES O([C@@H]1Oc(c(O)2)ccc(C(O4)=CC(c(c34)c(cc(c3)OC)O)=O)c2)C([C@@H](O)[C@H]([C@@H]1O)O)C |
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
-2.7121 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7121 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2610 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8100 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8100 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2610 0.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3589 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9078 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9078 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3589 0.1173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1872 -1.2923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4569 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0028 -0.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4625 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4625 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0028 0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4569 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2610 -1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0028 1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0527 0.9888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0202 -0.4431 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.6484 -0.8058 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.4491 -0.1083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.6484 0.5934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0202 0.9562 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.2195 0.2587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.9898 0.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1816 -1.0453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4969 -1.3715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0693 -0.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0693 0.4756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5692 1.3417 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
16 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 20 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 -3.0693 0.4756
S SKP 8
ID FL3FCCGS0002
KNApSAcK_ID C00004334
NAME Luteolin 7-methyl ether 4'-rhamnoside
CAS_RN 31159-36-1
FORMULA C22H22O10
EXACTMASS 446.121296924
AVERAGEMASS 446.40408
SMILES O([C@@H]1Oc(c(O)2)ccc(C(O4)=CC(c(c34)c(cc(c3)OC)O)=O)c2)C([C@@H](O)[C@H]([C@@H]1O)O)C
M END
