Mol:FL2FBAGS0002
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 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.9817 0.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9817 0.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2691 0.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2691 0.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9785 -0.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9785 -0.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2618 -0.8901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2618 -0.8901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5491 -0.4745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5491 -0.4745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5528 0.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5528 0.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8329 -0.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8329 -0.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1202 -0.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1202 -0.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1239 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1239 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8402 0.7662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8402 0.7662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5299 0.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5299 0.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2460 0.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2460 0.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9588 0.7432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9588 0.7432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9556 1.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9556 1.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2396 1.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2396 1.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5267 1.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5267 1.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8318 -1.5270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8318 -1.5270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6072 0.7053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6072 0.7053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2618 -1.6147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2618 -1.6147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5744 1.9255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5744 1.9255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8909 -1.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8909 -1.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9662 -0.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9662 -0.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7915 -0.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7915 -0.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0121 0.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0121 0.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6072 0.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6072 0.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7819 0.6894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7819 0.6894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5612 -0.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5612 -0.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9759 0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9759 0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4951 -0.2224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4951 -0.2224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1409 -1.3384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1409 -1.3384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3420 -0.9380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3420 -0.9380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4791 -0.3552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4791 -0.3552 0.0000 O 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 |
| − | 1 3 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 6 1 0 0 0 0 | + | 10 6 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 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 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FBAGS0002 | + | ID FL2FBAGS0002 |
| − | KNApSAcK_ID C00014324 | + | KNApSAcK_ID C00014324 |
| − | NAME Alhagitin;7,4'-Dihydroxy-5-methoxyflavanone 4'-glucoside | + | NAME Alhagitin;7,4'-Dihydroxy-5-methoxyflavanone 4'-glucoside |
| − | CAS_RN 238750-97-5 | + | CAS_RN 238750-97-5 |
| − | FORMULA C22H24O10 | + | FORMULA C22H24O10 |
| − | EXACTMASS 448.136946988 | + | EXACTMASS 448.136946988 |
| − | AVERAGEMASS 448.41996000000006 | + | AVERAGEMASS 448.41996000000006 |
| − | SMILES c(c4O)c(O1)c(c(c4)OC)C(CC1c(c2)ccc(OC(C(O)3)OC(CO)C(O)C3O)c2)=O | + | SMILES c(c4O)c(O1)c(c(c4)OC)C(CC1c(c2)ccc(OC(C(O)3)OC(CO)C(O)C3O)c2)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-2.9817 0.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2691 0.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9785 -0.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2618 -0.8901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5491 -0.4745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5528 0.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8329 -0.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1202 -0.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1239 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8402 0.7662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5299 0.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2460 0.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9588 0.7432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9556 1.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2396 1.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5267 1.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8318 -1.5270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6072 0.7053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2618 -1.6147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5744 1.9255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8909 -1.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9662 -0.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7915 -0.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0121 0.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6072 0.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7819 0.6894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5612 -0.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9759 0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4951 -0.2224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1409 -1.3384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3420 -0.9380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4791 -0.3552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 6 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
1 18 1 0 0 0 0
4 19 1 0 0 0 0
14 20 1 0 0 0 0
19 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 20 1 0 0 0 0
S SKP 8
ID FL2FBAGS0002
KNApSAcK_ID C00014324
NAME Alhagitin;7,4'-Dihydroxy-5-methoxyflavanone 4'-glucoside
CAS_RN 238750-97-5
FORMULA C22H24O10
EXACTMASS 448.136946988
AVERAGEMASS 448.41996000000006
SMILES c(c4O)c(O1)c(c(c4)OC)C(CC1c(c2)ccc(OC(C(O)3)OC(CO)C(O)C3O)c2)=O
M END
