Mol:FL1BAAGS0001
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 |
| − | -1.9721 -0.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9721 -0.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9721 -1.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9721 -1.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2576 -1.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2576 -1.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2576 -0.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2576 -0.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5432 -1.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5432 -1.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5432 -0.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5432 -0.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1711 -0.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1711 -0.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8874 -0.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8874 -0.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8865 -1.3467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8865 -1.3467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6629 0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6629 0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4269 -0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4269 -0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4379 -1.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4379 -1.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1580 -1.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1580 -1.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8667 -1.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8667 -1.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8554 -0.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8554 -0.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1354 -0.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1354 -0.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5163 -1.6265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5163 -1.6265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5579 -0.9098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5579 -0.9098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0331 1.1228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0331 1.1228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6205 0.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6205 0.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8222 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8222 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0287 0.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0287 0.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4412 1.1052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4412 1.1052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2396 0.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2396 0.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3966 1.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3966 1.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8765 1.7590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8765 1.7590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5163 0.6396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5163 0.6396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0692 0.6672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0692 0.6672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9936 -0.0227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9936 -0.0227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1711 0.5028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1711 0.5028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2576 0.6507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2576 0.6507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6139 -1.7170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6139 -1.7170 0.0000 O 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 5 2 0 0 0 0 | + | 3 5 2 0 0 0 0 |
| − | 6 4 2 0 0 0 0 | + | 6 4 2 0 0 0 0 |
| − | 4 1 1 0 0 0 0 | + | 4 1 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 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 |
| − | 5 9 1 0 0 0 0 | + | 5 9 1 0 0 0 0 |
| − | 8 10 1 0 0 0 0 | + | 8 10 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 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 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 19 20 1 1 0 0 0 | + | 19 20 1 1 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 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 19 1 0 0 0 0 | + | 24 19 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 |
| − | 19 27 1 0 0 0 0 | + | 19 27 1 0 0 0 0 |
| − | 20 28 1 0 0 0 0 | + | 20 28 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 7 30 2 0 0 0 0 | + | 7 30 2 0 0 0 0 |
| − | 4 31 1 0 0 0 0 | + | 4 31 1 0 0 0 0 |
| − | 31 22 1 0 0 0 0 | + | 31 22 1 0 0 0 0 |
| − | 2 32 1 0 0 0 0 | + | 2 32 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1BAAGS0001 | + | ID FL1BAAGS0001 |
| − | KNApSAcK_ID C00014669 | + | KNApSAcK_ID C00014669 |
| − | NAME Hovetrichoside C;2,4,6,4'-Tetrahydroxy-2-benzylcoumaranone 4-O-glucoside;Maesopsin 4-O-glucoside | + | NAME Hovetrichoside C;2,4,6,4'-Tetrahydroxy-2-benzylcoumaranone 4-O-glucoside;Maesopsin 4-O-glucoside |
| − | CAS_RN 210050-28-5 | + | CAS_RN 210050-28-5 |
| − | FORMULA C21H22O11 | + | FORMULA C21H22O11 |
| − | EXACTMASS 450.116211546 | + | EXACTMASS 450.116211546 |
| − | AVERAGEMASS 450.39278 | + | AVERAGEMASS 450.39278 |
| − | SMILES C(C1Oc(c42)cc(O)cc(OC(O)(C4=O)Cc(c3)ccc(O)c3)2)(O)C(O)C(O)C(O1)CO | + | SMILES C(C1Oc(c42)cc(O)cc(OC(O)(C4=O)Cc(c3)ccc(O)c3)2)(O)C(O)C(O)C(O1)CO |
M END | M END | ||
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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
-1.9721 -0.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9721 -1.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2576 -1.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2576 -0.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5432 -1.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5432 -0.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1711 -0.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8874 -0.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8865 -1.3467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6629 0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4269 -0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4379 -1.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1580 -1.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8667 -1.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8554 -0.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1354 -0.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5163 -1.6265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5579 -0.9098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0331 1.1228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6205 0.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8222 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0287 0.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4412 1.1052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2396 0.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3966 1.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8765 1.7590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5163 0.6396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0692 0.6672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9936 -0.0227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1711 0.5028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2576 0.6507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6139 -1.7170 0.0000 O 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 5 2 0 0 0 0
6 4 2 0 0 0 0
4 1 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
5 9 1 0 0 0 0
8 10 1 0 0 0 0
10 11 1 0 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
14 17 1 0 0 0 0
8 18 1 0 0 0 0
19 20 1 1 0 0 0
20 21 1 1 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 19 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
19 27 1 0 0 0 0
20 28 1 0 0 0 0
21 29 1 0 0 0 0
7 30 2 0 0 0 0
4 31 1 0 0 0 0
31 22 1 0 0 0 0
2 32 1 0 0 0 0
S SKP 8
ID FL1BAAGS0001
KNApSAcK_ID C00014669
NAME Hovetrichoside C;2,4,6,4'-Tetrahydroxy-2-benzylcoumaranone 4-O-glucoside;Maesopsin 4-O-glucoside
CAS_RN 210050-28-5
FORMULA C21H22O11
EXACTMASS 450.116211546
AVERAGEMASS 450.39278
SMILES C(C1Oc(c42)cc(O)cc(OC(O)(C4=O)Cc(c3)ccc(O)c3)2)(O)C(O)C(O)C(O1)CO
M END
