Mol:FL3FAEGS0010
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 |
| − | -3.3828 0.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3828 0.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3828 -0.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3828 -0.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9317 -0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9317 -0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4806 -0.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4806 -0.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4806 0.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4806 0.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9317 0.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9317 0.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0296 -0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0296 -0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5785 -0.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5785 -0.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5785 0.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5785 0.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0296 0.3826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0296 0.3826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0296 -1.0651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0296 -1.0651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1276 0.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1276 0.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6679 0.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6679 0.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2082 0.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2082 0.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2082 0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2082 0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6679 1.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6679 1.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1276 0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1276 0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9317 -1.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9317 -1.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8440 0.4298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8440 0.4298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5096 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5096 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1219 -0.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1219 -0.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8674 -0.0373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8674 -0.0373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6174 -0.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6174 -0.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0051 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0051 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2596 0.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2596 0.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7896 0.2282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7896 0.2282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5665 0.7398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5665 0.7398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5644 0.0982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5644 0.0982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3350 0.0690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3350 0.0690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1295 -0.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1295 -0.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8440 -0.6361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8440 -0.6361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2515 1.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2515 1.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9660 0.7663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9660 0.7663 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 1 1 0 0 0 0 | + | 19 1 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 14 29 1 0 0 0 0 | + | 14 29 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 15 32 1 0 0 0 0 | + | 15 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 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 33 -6.1622 3.9541 | + | M SBV 1 33 -6.1622 3.9541 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 32 33 | + | M SAL 2 2 32 33 |
| − | M SBL 2 1 35 | + | M SBL 2 1 35 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 35 -6.2148 4.1927 | + | M SBV 2 35 -6.2148 4.1927 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAEGS0010 | + | ID FL3FAEGS0010 |
| − | KNApSAcK_ID C00004507 | + | KNApSAcK_ID C00004507 |
| − | NAME Diosmetin 3'-glucoside | + | NAME Diosmetin 3'-glucoside |
| − | CAS_RN 141360-86-3 | + | CAS_RN 141360-86-3 |
| − | FORMULA C22H22O11 | + | FORMULA C22H22O11 |
| − | EXACTMASS 462.116211546 | + | EXACTMASS 462.116211546 |
| − | AVERAGEMASS 462.40348000000006 | + | AVERAGEMASS 462.40348000000006 |
| − | SMILES OC(C1O)C(Oc(c(OC)4)cc(cc4)C(O3)=CC(c(c32)c(O)cc(O)c2)=O)OC(CO)C1O | + | SMILES OC(C1O)C(Oc(c(OC)4)cc(cc4)C(O3)=CC(c(c32)c(O)cc(O)c2)=O)OC(CO)C1O |
M END | M END | ||
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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
-3.3828 0.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3828 -0.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9317 -0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4806 -0.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4806 0.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9317 0.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0296 -0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5785 -0.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5785 0.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0296 0.3826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0296 -1.0651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1276 0.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6679 0.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2082 0.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2082 0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6679 1.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1276 0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9317 -1.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8440 0.4298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5096 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1219 -0.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8674 -0.0373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6174 -0.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0051 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2596 0.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7896 0.2282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5665 0.7398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5644 0.0982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3350 0.0690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1295 -0.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8440 -0.6361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2515 1.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9660 0.7663 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 1 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
14 29 1 0 0 0 0
21 29 1 0 0 0 0
23 30 1 0 0 0 0
30 31 1 0 0 0 0
15 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 30 31
M SBL 1 1 33
M SMT 1 CH2OH
M SBV 1 33 -6.1622 3.9541
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 35
M SMT 2 OCH3
M SBV 2 35 -6.2148 4.1927
S SKP 8
ID FL3FAEGS0010
KNApSAcK_ID C00004507
NAME Diosmetin 3'-glucoside
CAS_RN 141360-86-3
FORMULA C22H22O11
EXACTMASS 462.116211546
AVERAGEMASS 462.40348000000006
SMILES OC(C1O)C(Oc(c(OC)4)cc(cc4)C(O3)=CC(c(c32)c(O)cc(O)c2)=O)OC(CO)C1O
M END
