Mol:FL3FA9CS0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.7773 0.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7773 0.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7773 -0.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7773 -0.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4918 -0.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4918 -0.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2063 -0.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2063 -0.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2063 0.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2063 0.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4918 0.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4918 0.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0237 -0.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0237 -0.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3092 -0.3539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3092 -0.3539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4053 -0.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4053 -0.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4053 -1.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4053 -1.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3092 -2.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3092 -2.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0237 -1.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0237 -1.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1198 -0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1198 -0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8342 -0.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8342 -0.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8342 -1.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8342 -1.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1198 -2.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1198 -2.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5053 -0.3790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5053 -0.3790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1198 -2.7434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1198 -2.7434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3092 -2.5760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3092 -2.5760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4649 2.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4649 2.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2105 1.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2105 1.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0664 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0664 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3565 0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3565 0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6108 0.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6108 0.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7548 1.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7548 1.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1582 1.5594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1582 1.5594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1566 2.0154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1566 2.0154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9075 2.7434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9075 2.7434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9161 2.2955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9161 2.2955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6904 1.2790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6904 1.2790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2063 -0.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2063 -0.7837 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 |
| − | 2 7 1 0 0 0 0 | + | 2 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 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 11 19 2 0 0 0 0 | + | 11 19 2 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 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 |
| − | 20 28 1 0 0 0 0 | + | 20 28 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 17 31 1 0 0 0 0 | + | 17 31 1 0 0 0 0 |
| − | 13 23 1 0 0 0 0 | + | 13 23 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FA9CS0006 | + | ID FL3FA9CS0006 |
| − | KNApSAcK_ID C00014013 | + | KNApSAcK_ID C00014013 |
| − | NAME Kaplanin;8-beta-D-Glucopyranosyl-5-hydroxy-7-methoxy-2-phenyl-4H-1-benzopyran-4-one | + | NAME Kaplanin;8-beta-D-Glucopyranosyl-5-hydroxy-7-methoxy-2-phenyl-4H-1-benzopyran-4-one |
| − | CAS_RN 329229-05-2 | + | CAS_RN 329229-05-2 |
| − | FORMULA C22H22O9 | + | FORMULA C22H22O9 |
| − | EXACTMASS 430.126382302 | + | EXACTMASS 430.126382302 |
| − | AVERAGEMASS 430.40468000000004 | + | AVERAGEMASS 430.40468000000004 |
| − | SMILES OC(C1O)C(O)C(c(c32)c(cc(O)c(C(C=C(c(c4)cccc4)O3)=O)2)OC)OC1CO | + | SMILES OC(C1O)C(O)C(c(c32)c(cc(O)c(C(C=C(c(c4)cccc4)O3)=O)2)OC)OC1CO |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
1.7773 0.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7773 -0.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4918 -0.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2063 -0.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2063 0.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4918 0.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0237 -0.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3092 -0.3539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4053 -0.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4053 -1.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3092 -2.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0237 -1.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1198 -0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8342 -0.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8342 -1.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1198 -2.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5053 -0.3790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1198 -2.7434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3092 -2.5760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4649 2.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2105 1.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0664 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3565 0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6108 0.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7548 1.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1582 1.5594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1566 2.0154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9075 2.7434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9161 2.2955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6904 1.2790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2063 -0.7837 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
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 17 1 0 0 0 0
16 18 1 0 0 0 0
11 19 2 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
20 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
17 31 1 0 0 0 0
13 23 1 0 0 0 0
S SKP 8
ID FL3FA9CS0006
KNApSAcK_ID C00014013
NAME Kaplanin;8-beta-D-Glucopyranosyl-5-hydroxy-7-methoxy-2-phenyl-4H-1-benzopyran-4-one
CAS_RN 329229-05-2
FORMULA C22H22O9
EXACTMASS 430.126382302
AVERAGEMASS 430.40468000000004
SMILES OC(C1O)C(O)C(c(c32)c(cc(O)c(C(C=C(c(c4)cccc4)O3)=O)2)OC)OC1CO
M END
