Mol:FL4DAAGS0005
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | -1.9023 0.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9023 0.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3814 0.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3814 0.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8605 0.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8605 0.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8605 0.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8605 0.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3814 1.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3814 1.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9023 0.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9023 0.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3396 0.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3396 0.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1813 0.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1813 0.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1813 0.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1813 0.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3396 1.2194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3396 1.2194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3396 -0.5074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3396 -0.5074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7610 1.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7610 1.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2897 0.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2897 0.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8184 1.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8184 1.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8184 1.8286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8184 1.8286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2897 2.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2897 2.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7610 1.8286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7610 1.8286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4355 1.2265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4355 1.2265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6495 -0.2595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6495 -0.2595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3471 2.1339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3471 2.1339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3814 -0.5844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3814 -0.5844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5413 -1.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5413 -1.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0767 -1.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0767 -1.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9069 -1.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9069 -1.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0767 -0.4593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0767 -0.4593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5413 -0.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5413 -0.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7112 -0.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7112 -0.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3677 -0.7446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3677 -0.7446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6789 -1.8559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6789 -1.8559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9476 -2.1339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9476 -2.1339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4355 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4355 -1.3625 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 6 0 0 0 | + | 9 12 1 6 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 8 19 1 6 0 0 0 | + | 8 19 1 6 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 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 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 27 22 1 1 0 0 0 | + | 27 22 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 26 19 1 0 0 0 0 | + | 26 19 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DAAGS0005 | + | ID FL4DAAGS0005 |
| − | KNApSAcK_ID C00008673 | + | KNApSAcK_ID C00008673 |
| − | NAME Isoengeletin | + | NAME Isoengeletin |
| − | CAS_RN 30987-58-7 | + | CAS_RN 30987-58-7 |
| − | FORMULA C21H22O10 | + | FORMULA C21H22O10 |
| − | EXACTMASS 434.121296924 | + | EXACTMASS 434.121296924 |
| − | AVERAGEMASS 434.39338 | + | AVERAGEMASS 434.39338 |
| − | SMILES C(C(=O)3)(C(Oc(c4)c3c(cc(O)4)O)c(c2)ccc(O)c2)OC(O1)C(O)C(O)C(O)C(C)1 | + | SMILES C(C(=O)3)(C(Oc(c4)c3c(cc(O)4)O)c(c2)ccc(O)c2)OC(O1)C(O)C(O)C(O)C(C)1 |
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
-1.9023 0.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3814 0.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8605 0.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8605 0.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3814 1.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9023 0.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3396 0.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1813 0.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1813 0.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3396 1.2194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3396 -0.5074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7610 1.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2897 0.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8184 1.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8184 1.8286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2897 2.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7610 1.8286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4355 1.2265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6495 -0.2595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3471 2.1339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3814 -0.5844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5413 -1.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0767 -1.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9069 -1.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0767 -0.4593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5413 -0.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7112 -0.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3677 -0.7446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6789 -1.8559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9476 -2.1339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4355 -1.3625 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
3 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 4 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 6 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 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
6 18 1 0 0 0 0
8 19 1 6 0 0 0
15 20 1 0 0 0 0
2 21 1 0 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 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
27 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
26 19 1 0 0 0 0
S SKP 8
ID FL4DAAGS0005
KNApSAcK_ID C00008673
NAME Isoengeletin
CAS_RN 30987-58-7
FORMULA C21H22O10
EXACTMASS 434.121296924
AVERAGEMASS 434.39338
SMILES C(C(=O)3)(C(Oc(c4)c3c(cc(O)4)O)c(c2)ccc(O)c2)OC(O1)C(O)C(O)C(O)C(C)1
M END
