Mol:FL3FAECS0002
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | -1.0624 -0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0624 -0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0624 -0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0624 -0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5061 -1.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5061 -1.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0502 -0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0502 -0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0502 -0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0502 -0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5061 0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5061 0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6065 -1.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6065 -1.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1628 -0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1628 -0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1628 -0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1628 -0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6065 0.0959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6065 0.0959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6065 -1.6897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6065 -1.6897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5061 -1.8310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5061 -1.8310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8426 0.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8426 0.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4288 -0.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4288 -0.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0150 0.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0150 0.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0150 0.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0150 0.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4288 1.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4288 1.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8426 0.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8426 0.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6158 -1.1122 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.6158 -1.1122 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -3.1002 -1.6897 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -3.1002 -1.6897 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.5846 -1.3803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.5846 -1.3803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.8833 -1.4628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.8833 -1.4628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.3783 -1.0090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3783 -1.0090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9352 -1.2772 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.9352 -1.2772 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -4.3154 -1.2996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3154 -1.2996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7426 -1.7722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7426 -1.7722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0305 -1.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0305 -1.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6185 0.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6185 0.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4288 1.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4288 1.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6009 1.2140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6009 1.2140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3154 0.8015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3154 0.8015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1362 -0.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1362 -0.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0913 -0.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0913 -0.0938 0.0000 O 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 |
| − | 3 12 1 0 0 0 0 | + | 3 12 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 13 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 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 1 28 1 0 0 0 0 | + | 1 28 1 0 0 0 0 |
| − | 17 29 1 0 0 0 0 | + | 17 29 1 0 0 0 0 |
| − | 16 30 1 0 0 0 0 | + | 16 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 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 CH2OH | + | M SMT 2 CH2OH |
| − | M SVB 2 35 -3.1362 -0.3901 | + | M SVB 2 35 -3.1362 -0.3901 |
| − | 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 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 33 3.6009 1.214 | + | M SVB 1 33 3.6009 1.214 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAECS0002 | + | ID FL3FAECS0002 |
| − | KNApSAcK_ID C00006123 | + | KNApSAcK_ID C00006123 |
| − | NAME 6-C-beta-D-Glucopyranosyldiosmetin;6-beta-D-Glucopyranosyl-5,7,3'-trihydroxy-4'-methoxyflavone;6-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one | + | NAME 6-C-beta-D-Glucopyranosyldiosmetin;6-beta-D-Glucopyranosyl-5,7,3'-trihydroxy-4'-methoxyflavone;6-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 15822-82-9 | + | CAS_RN 15822-82-9 |
| − | FORMULA C22H22O11 | + | FORMULA C22H22O11 |
| − | EXACTMASS 462.116211546 | + | EXACTMASS 462.116211546 |
| − | AVERAGEMASS 462.40348000000006 | + | AVERAGEMASS 462.40348000000006 |
| − | SMILES O(c23)C(=CC(=O)c(c(c([C@@H]([C@@H](O)4)OC([C@@H]([C@@H]4O)O)CO)c(O)c3)O)2)c(c1)ccc(c1O)OC | + | SMILES O(c23)C(=CC(=O)c(c(c([C@@H]([C@@H](O)4)OC([C@@H]([C@@H]4O)O)CO)c(O)c3)O)2)c(c1)ccc(c1O)OC |
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
-1.0624 -0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0624 -0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5061 -1.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0502 -0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0502 -0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5061 0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6065 -1.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1628 -0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1628 -0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6065 0.0959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6065 -1.6897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5061 -1.8310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8426 0.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4288 -0.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0150 0.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0150 0.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4288 1.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8426 0.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6158 -1.1122 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.1002 -1.6897 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.5846 -1.3803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.8833 -1.4628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.3783 -1.0090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9352 -1.2772 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-4.3154 -1.2996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7426 -1.7722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0305 -1.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6185 0.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4288 1.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6009 1.2140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3154 0.8015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1362 -0.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0913 -0.0938 0.0000 O 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
3 12 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
9 13 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
19 25 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
2 22 1 0 0 0 0
1 28 1 0 0 0 0
17 29 1 0 0 0 0
16 30 1 0 0 0 0
30 31 1 0 0 0 0
24 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 35
M SMT 2 CH2OH
M SVB 2 35 -3.1362 -0.3901
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 33
M SMT 1 OCH3
M SVB 1 33 3.6009 1.214
S SKP 8
ID FL3FAECS0002
KNApSAcK_ID C00006123
NAME 6-C-beta-D-Glucopyranosyldiosmetin;6-beta-D-Glucopyranosyl-5,7,3'-trihydroxy-4'-methoxyflavone;6-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 15822-82-9
FORMULA C22H22O11
EXACTMASS 462.116211546
AVERAGEMASS 462.40348000000006
SMILES O(c23)C(=CC(=O)c(c(c([C@@H]([C@@H](O)4)OC([C@@H]([C@@H]4O)O)CO)c(O)c3)O)2)c(c1)ccc(c1O)OC
M END
