Mol:FL3FEAGS0053
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 37 40 0 0 0 0 0 0 0 0999 V2000 | + | 37 40 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1205 -0.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1205 -0.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1205 -0.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1205 -0.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4060 -1.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4060 -1.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3085 -0.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3085 -0.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3085 -0.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3085 -0.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4060 0.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4060 0.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0230 -1.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0230 -1.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7374 -0.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7374 -0.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7374 -0.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7374 -0.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0230 0.3944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0230 0.3944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4519 0.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4519 0.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1664 -0.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1664 -0.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8808 0.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8808 0.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8808 1.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8808 1.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1664 1.6319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1664 1.6319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4519 1.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4519 1.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0230 -2.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0230 -2.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4060 -2.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4060 -2.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6271 1.6502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6271 1.6502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8401 0.3288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8401 0.3288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8074 -1.2397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8074 -1.2397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5054 -0.8367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5054 -0.8367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3433 1.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3433 1.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6690 0.7214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6690 0.7214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2564 0.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2564 0.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4580 0.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4580 0.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6645 -0.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6645 -0.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0771 0.7037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0771 0.7037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8755 0.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8755 0.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1088 -0.3890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1088 -0.3890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7934 0.3168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7934 0.3168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3433 0.3320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3433 0.3320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0107 0.9992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0107 0.9992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3979 1.2228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3979 1.2228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9200 2.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9200 2.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4003 1.7806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4003 1.7806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9084 2.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9084 2.0645 0.0000 C 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 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 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 |
| − | 9 11 1 0 0 0 0 | + | 9 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 19 23 1 0 0 0 0 | + | 19 23 1 0 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 29 33 1 0 0 0 0 | + | 29 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
| − | 35 36 2 0 0 0 0 | + | 35 36 2 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 27 20 1 0 0 0 0 | + | 27 20 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FEAGS0053 | + | ID FL3FEAGS0053 |
| − | KNApSAcK_ID C00013640 | + | KNApSAcK_ID C00013640 |
| − | NAME Scutellarein 6,4'-dimethyl ether 7-(6''-acetylglucoside);Lantanoside;7-[(6-O-Acetyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one | + | NAME Scutellarein 6,4'-dimethyl ether 7-(6''-acetylglucoside);Lantanoside;7-[(6-O-Acetyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 274687-65-9 | + | CAS_RN 274687-65-9 |
| − | FORMULA C25H26O12 | + | FORMULA C25H26O12 |
| − | EXACTMASS 518.1424262959999 | + | EXACTMASS 518.1424262959999 |
| − | AVERAGEMASS 518.46674 | + | AVERAGEMASS 518.46674 |
| − | SMILES OC(C4O)C(O)C(OC4COC(C)=O)Oc(c3OC)cc(c(c3O)1)OC(c(c2)ccc(c2)OC)=CC(=O)1 | + | SMILES OC(C4O)C(O)C(OC4COC(C)=O)Oc(c3OC)cc(c(c3O)1)OC(c(c2)ccc(c2)OC)=CC(=O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
37 40 0 0 0 0 0 0 0 0999 V2000
-1.1205 -0.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1205 -0.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4060 -1.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3085 -0.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3085 -0.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4060 0.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0230 -1.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7374 -0.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7374 -0.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0230 0.3944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4519 0.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1664 -0.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8808 0.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8808 1.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1664 1.6319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4519 1.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0230 -2.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4060 -2.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6271 1.6502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8401 0.3288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8074 -1.2397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5054 -0.8367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3433 1.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6690 0.7214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2564 0.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4580 0.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6645 -0.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0771 0.7037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8755 0.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1088 -0.3890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7934 0.3168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3433 0.3320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0107 0.9992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3979 1.2228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9200 2.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4003 1.7806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9084 2.0645 0.0000 C 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 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 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
9 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
7 17 2 0 0 0 0
3 18 1 0 0 0 0
14 19 1 0 0 0 0
20 1 1 0 0 0 0
2 21 1 0 0 0 0
21 22 1 0 0 0 0
19 23 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
26 30 1 0 0 0 0
25 31 1 0 0 0 0
24 32 1 0 0 0 0
29 33 1 0 0 0 0
33 34 1 0 0 0 0
34 36 1 0 0 0 0
35 36 2 0 0 0 0
36 37 1 0 0 0 0
27 20 1 0 0 0 0
S SKP 8
ID FL3FEAGS0053
KNApSAcK_ID C00013640
NAME Scutellarein 6,4'-dimethyl ether 7-(6''-acetylglucoside);Lantanoside;7-[(6-O-Acetyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 274687-65-9
FORMULA C25H26O12
EXACTMASS 518.1424262959999
AVERAGEMASS 518.46674
SMILES OC(C4O)C(O)C(OC4COC(C)=O)Oc(c3OC)cc(c(c3O)1)OC(c(c2)ccc(c2)OC)=CC(=O)1
M END
