Mol:FL3FACGS0084
From Metabolomics.JP
(Difference between revisions)
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| − | 57 62 0 0 0 0 0 0 0 0999 V2000 | + | 57 62 0 0 0 0 0 0 0 0999 V2000 |
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| − | -7.2392 -0.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -7.2392 -0.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 34 42 1 0 0 0 0 | + | 34 42 1 0 0 0 0 |
| − | 35 43 1 0 0 0 0 | + | 35 43 1 0 0 0 0 |
| − | 36 32 1 0 0 0 0 | + | 36 32 1 0 0 0 0 |
| − | 44 45 1 1 0 0 0 | + | 44 45 1 1 0 0 0 |
| − | 45 46 1 1 0 0 0 | + | 45 46 1 1 0 0 0 |
| − | 47 46 1 1 0 0 0 | + | 47 46 1 1 0 0 0 |
| − | 47 48 1 0 0 0 0 | + | 47 48 1 0 0 0 0 |
| − | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
| − | 49 44 1 0 0 0 0 | + | 49 44 1 0 0 0 0 |
| − | 49 50 1 0 0 0 0 | + | 49 50 1 0 0 0 0 |
| − | 50 51 1 0 0 0 0 | + | 50 51 1 0 0 0 0 |
| − | 44 52 1 0 0 0 0 | + | 44 52 1 0 0 0 0 |
| − | 45 53 1 0 0 0 0 | + | 45 53 1 0 0 0 0 |
| − | 46 54 1 0 0 0 0 | + | 46 54 1 0 0 0 0 |
| − | 51 55 1 0 0 0 0 | + | 51 55 1 0 0 0 0 |
| − | 55 56 2 0 0 0 0 | + | 55 56 2 0 0 0 0 |
| − | 55 57 1 0 0 0 0 | + | 55 57 1 0 0 0 0 |
| − | 47 42 1 0 0 0 0 | + | 47 42 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FACGS0084 | + | ID FL3FACGS0084 |
| − | KNApSAcK_ID C00013669 | + | KNApSAcK_ID C00013669 |
| − | NAME Luteorin 7-(6''''-acetylallosyl-(1->3)-glucosyl-(1->2)-glucoside;Veronicoside A;7-[(O-6-O-Acetyl-beta-D-allopyranosyl-(1->3)-O-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one | + | NAME Luteorin 7-(6''''-acetylallosyl-(1->3)-glucosyl-(1->2)-glucoside;Veronicoside A;7-[(O-6-O-Acetyl-beta-D-allopyranosyl-(1->3)-O-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one |
| − | CAS_RN 173792-54-6 | + | CAS_RN 173792-54-6 |
| − | FORMULA C35H42O22 | + | FORMULA C35H42O22 |
| − | EXACTMASS 814.216773028 | + | EXACTMASS 814.216773028 |
| − | AVERAGEMASS 814.69478 | + | AVERAGEMASS 814.69478 |
| − | SMILES c(c64)c(cc(c(C(=O)C=C(O6)c(c5)ccc(O)c(O)5)4)O)OC(O1)C(OC(C(O)2)OC(C(C(OC(C3O)OC(C(C3O)O)COC(C)=O)2)O)CO)C(C(C1CO)O)O | + | SMILES c(c64)c(cc(c(C(=O)C=C(O6)c(c5)ccc(O)c(O)5)4)O)OC(O1)C(OC(C(O)2)OC(C(C(OC(C3O)OC(C(C3O)O)COC(C)=O)2)O)CO)C(C(C1CO)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
57 62 0 0 0 0 0 0 0 0999 V2000
5.1047 1.5874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1047 0.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8191 0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5336 0.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5336 1.5874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8191 1.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3902 0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6757 0.7624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9613 0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9613 -0.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6757 -0.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3902 -0.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2468 0.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5323 0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5323 -0.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2468 -0.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6757 -1.6059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8179 0.7624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2468 -1.5736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2392 1.9889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1081 0.4307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8000 0.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3875 0.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.2038 0.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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22 30 1 0 0 0 0
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36 37 1 0 0 0 0
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33 41 1 0 0 0 0
34 42 1 0 0 0 0
35 43 1 0 0 0 0
36 32 1 0 0 0 0
44 45 1 1 0 0 0
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51 55 1 0 0 0 0
55 56 2 0 0 0 0
55 57 1 0 0 0 0
47 42 1 0 0 0 0
S SKP 8
ID FL3FACGS0084
KNApSAcK_ID C00013669
NAME Luteorin 7-(6''''-acetylallosyl-(1->3)-glucosyl-(1->2)-glucoside;Veronicoside A;7-[(O-6-O-Acetyl-beta-D-allopyranosyl-(1->3)-O-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one
CAS_RN 173792-54-6
FORMULA C35H42O22
EXACTMASS 814.216773028
AVERAGEMASS 814.69478
SMILES c(c64)c(cc(c(C(=O)C=C(O6)c(c5)ccc(O)c(O)5)4)O)OC(O1)C(OC(C(O)2)OC(C(C(OC(C3O)OC(C(C3O)O)COC(C)=O)2)O)CO)C(C(C1CO)O)O
M END
