Mol:FL1C3AGS0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 34 0 0 0 0 0 0 0 0999 V2000 | + | 32 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.9290 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9290 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9290 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9290 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2146 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2146 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4999 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4999 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4999 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4999 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2146 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2146 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2144 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2144 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9289 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9289 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9289 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9289 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6433 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6433 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3578 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3578 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0723 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0723 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0723 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0723 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3578 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3578 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6433 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6433 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2144 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2144 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3179 0.6693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3179 0.6693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8399 -0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8399 -0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0647 0.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0647 0.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2534 0.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2534 0.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7314 0.8015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7314 0.8015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5066 0.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5066 0.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7180 1.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7180 1.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7535 0.1427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7535 0.1427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3109 0.2122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3109 0.2122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1752 -0.3733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1752 -0.3733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2146 -1.7425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2146 -1.7425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5970 0.5919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5970 0.5919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3013 1.4013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3013 1.4013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7535 1.8371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7535 1.8371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6666 -0.9487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6666 -0.9487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2928 -0.5872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2928 -0.5872 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 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 17 18 1 1 0 0 0 | + | 17 18 1 1 0 0 0 |
| − | 18 19 1 1 0 0 0 | + | 18 19 1 1 0 0 0 |
| − | 20 19 1 1 0 0 0 | + | 20 19 1 1 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 17 1 0 0 0 0 | + | 22 17 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 17 24 1 0 0 0 0 | + | 17 24 1 0 0 0 0 |
| − | 18 25 1 0 0 0 0 | + | 18 25 1 0 0 0 0 |
| − | 19 26 1 0 0 0 0 | + | 19 26 1 0 0 0 0 |
| − | 3 27 1 0 0 0 0 | + | 3 27 1 0 0 0 0 |
| − | 1 28 1 0 0 0 0 | + | 1 28 1 0 0 0 0 |
| − | 29 23 1 0 0 0 0 | + | 29 23 1 0 0 0 0 |
| − | 13 30 1 0 0 0 0 | + | 13 30 1 0 0 0 0 |
| − | 2 31 1 0 0 0 0 | + | 2 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 28 20 1 0 0 0 0 | + | 28 20 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C3AGS0005 | + | ID FL1C3AGS0005 |
| − | KNApSAcK_ID C00014508 | + | KNApSAcK_ID C00014508 |
| − | NAME Homobutein 4'-O-glucoside;4,2',4'-Trihydroxy-3-methoxychalcone 4'-O-glucoside | + | NAME Homobutein 4'-O-glucoside;4,2',4'-Trihydroxy-3-methoxychalcone 4'-O-glucoside |
| − | CAS_RN 89648-27-1 | + | CAS_RN 89648-27-1 |
| − | FORMULA C22H24O10 | + | FORMULA C22H24O10 |
| − | EXACTMASS 448.136946988 | + | EXACTMASS 448.136946988 |
| − | AVERAGEMASS 448.41996000000006 | + | AVERAGEMASS 448.41996000000006 |
| − | SMILES OC(C1O)C(Oc(c(OC)2)ccc(C(=O)C=Cc(c3)ccc(O)c3)c(O)2)OC(CO)C1O | + | SMILES OC(C1O)C(Oc(c(OC)2)ccc(C(=O)C=Cc(c3)ccc(O)c3)c(O)2)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/
32 34 0 0 0 0 0 0 0 0999 V2000
-0.9290 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9290 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2146 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4999 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4999 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2146 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2144 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9289 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9289 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6433 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3578 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0723 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0723 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3578 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6433 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2144 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3179 0.6693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8399 -0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0647 0.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2534 0.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7314 0.8015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5066 0.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7180 1.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7535 0.1427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3109 0.2122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1752 -0.3733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2146 -1.7425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5970 0.5919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3013 1.4013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7535 1.8371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6666 -0.9487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2928 -0.5872 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 11 2 0 0 0 0
11 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 10 1 0 0 0 0
7 16 2 0 0 0 0
17 18 1 1 0 0 0
18 19 1 1 0 0 0
20 19 1 1 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 17 1 0 0 0 0
22 23 1 0 0 0 0
17 24 1 0 0 0 0
18 25 1 0 0 0 0
19 26 1 0 0 0 0
3 27 1 0 0 0 0
1 28 1 0 0 0 0
29 23 1 0 0 0 0
13 30 1 0 0 0 0
2 31 1 0 0 0 0
31 32 1 0 0 0 0
28 20 1 0 0 0 0
S SKP 8
ID FL1C3AGS0005
KNApSAcK_ID C00014508
NAME Homobutein 4'-O-glucoside;4,2',4'-Trihydroxy-3-methoxychalcone 4'-O-glucoside
CAS_RN 89648-27-1
FORMULA C22H24O10
EXACTMASS 448.136946988
AVERAGEMASS 448.41996000000006
SMILES OC(C1O)C(Oc(c(OC)2)ccc(C(=O)C=Cc(c3)ccc(O)c3)c(O)2)OC(CO)C1O
M END
