Mol:FL3FAECS0001
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 |
| − | -2.3490 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3490 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3490 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3490 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7927 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7927 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2364 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2364 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2364 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2364 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7927 -0.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7927 -0.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6801 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6801 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1238 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1238 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1238 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1238 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6801 -0.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6801 -0.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6801 -2.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6801 -2.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9051 -0.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9051 -0.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5473 2.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5473 2.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1529 1.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1529 1.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8960 0.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8960 0.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8891 0.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8891 0.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4257 0.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4257 0.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7308 1.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7308 1.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8437 2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8437 2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1877 2.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1877 2.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5314 0.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5314 0.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7927 -2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7927 -2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4323 -0.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4323 -0.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0185 -0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0185 -0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6047 -0.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6047 -0.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6047 0.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6047 0.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0185 0.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0185 0.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4323 0.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4323 0.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1906 -0.9739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1906 -0.9739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2957 1.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2957 1.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5812 1.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5812 1.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1906 0.3795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1906 0.3795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9051 -0.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9051 -0.0330 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 |
| − | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
| − | 13 14 1 1 0 0 0 | + | 13 14 1 1 0 0 0 |
| − | 14 15 1 1 0 0 0 | + | 14 15 1 1 0 0 0 |
| − | 16 15 1 1 0 0 0 | + | 16 15 1 1 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 6 16 1 0 0 0 0 | + | 6 16 1 0 0 0 0 |
| − | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
| − | 9 23 1 0 0 0 0 | + | 9 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 18 30 1 0 0 0 0 | + | 18 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 26 32 1 0 0 0 0 | + | 26 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 -7.3135 5.6057 | + | M SBV 1 33 -7.3135 5.6057 |
| − | 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 -7.1627 5.6928 | + | M SBV 2 35 -7.1627 5.6928 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAECS0001 | + | ID FL3FAECS0001 |
| − | KNApSAcK_ID C00006121 | + | KNApSAcK_ID C00006121 |
| − | NAME 8-C-beta-D-Glucopyranosyldiosmetin;8-beta-D-Glucopyranosyl-5,7,3'-trihydroxy-4'-methoxyflavone;8-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one | + | NAME 8-C-beta-D-Glucopyranosyldiosmetin;8-beta-D-Glucopyranosyl-5,7,3'-trihydroxy-4'-methoxyflavone;8-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 15822-81-8 | + | CAS_RN 15822-81-8 |
| − | FORMULA C22H22O11 | + | FORMULA C22H22O11 |
| − | EXACTMASS 462.116211546 | + | EXACTMASS 462.116211546 |
| − | AVERAGEMASS 462.40348000000006 | + | AVERAGEMASS 462.40348000000006 |
| − | SMILES Oc(c24)cc(O)c(c(OC(=CC(=O)4)c(c3)ccc(c3O)OC)2)C(O1)C(O)C(C(C1CO)O)O | + | SMILES Oc(c24)cc(O)c(c(OC(=CC(=O)4)c(c3)ccc(c3O)OC)2)C(O1)C(O)C(C(C1CO)O)O |
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
-2.3490 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3490 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7927 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2364 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2364 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7927 -0.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6801 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1238 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1238 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6801 -0.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6801 -2.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9051 -0.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5473 2.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1529 1.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8960 0.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8891 0.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4257 0.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7308 1.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8437 2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1877 2.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5314 0.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7927 -2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4323 -0.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0185 -0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6047 -0.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6047 0.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0185 0.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4323 0.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1906 -0.9739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2957 1.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5812 1.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1906 0.3795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9051 -0.0330 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
1 12 1 0 0 0 0
13 14 1 1 0 0 0
14 15 1 1 0 0 0
16 15 1 1 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 13 1 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
15 21 1 0 0 0 0
6 16 1 0 0 0 0
3 22 1 0 0 0 0
9 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 23 1 0 0 0 0
25 29 1 0 0 0 0
18 30 1 0 0 0 0
30 31 1 0 0 0 0
26 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 -7.3135 5.6057
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 -7.1627 5.6928
S SKP 8
ID FL3FAECS0001
KNApSAcK_ID C00006121
NAME 8-C-beta-D-Glucopyranosyldiosmetin;8-beta-D-Glucopyranosyl-5,7,3'-trihydroxy-4'-methoxyflavone;8-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 15822-81-8
FORMULA C22H22O11
EXACTMASS 462.116211546
AVERAGEMASS 462.40348000000006
SMILES Oc(c24)cc(O)c(c(OC(=CC(=O)4)c(c3)ccc(c3O)OC)2)C(O1)C(O)C(C(C1CO)O)O
M END
