Mol:FL5F1CNP0003
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 |
| − | -1.4107 -0.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4107 -0.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4107 -1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4107 -1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8544 -1.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8544 -1.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2981 -1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2981 -1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2981 -0.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2981 -0.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8544 -0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8544 -0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2582 -1.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2582 -1.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8145 -1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8145 -1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8145 -0.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8145 -0.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2582 -0.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2582 -0.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2582 -1.8560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2582 -1.8560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3706 -0.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3706 -0.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9376 -0.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9376 -0.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5046 -0.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5046 -0.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5046 0.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5046 0.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9376 0.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9376 0.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3706 0.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3706 0.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9670 -0.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9670 -0.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5233 -0.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5233 -0.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5233 -1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5233 -1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9670 -1.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9670 -1.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9368 0.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9368 0.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0714 -0.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0714 -0.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8544 0.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8544 0.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4105 0.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4105 0.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4105 1.5349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4105 1.5349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9666 1.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9666 1.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8544 1.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8544 1.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9376 1.5660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9376 1.5660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0714 0.9114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0714 0.9114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6805 -1.5340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6805 -1.5340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5465 -2.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5465 -2.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 2 1 0 0 0 0 | + | 21 2 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 19 23 1 0 0 0 0 | + | 19 23 1 0 0 0 0 |
| − | 6 24 1 0 0 0 0 | + | 6 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 16 29 1 0 0 0 0 | + | 16 29 1 0 0 0 0 |
| − | 15 30 1 0 0 0 0 | + | 15 30 1 0 0 0 0 |
| − | 8 31 1 0 0 0 0 | + | 8 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 34 1.0134 -1.2402 | + | M SVB 1 34 1.0134 -1.2402 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5F1CNP0003 | + | ID FL5F1CNP0003 |
| − | KNApSAcK_ID C00005084 | + | KNApSAcK_ID C00005084 |
| − | NAME Macaflavone II | + | NAME Macaflavone II |
| − | CAS_RN 102822-11-7 | + | CAS_RN 102822-11-7 |
| − | FORMULA C26H26O6 | + | FORMULA C26H26O6 |
| − | EXACTMASS 434.172938564 | + | EXACTMASS 434.172938564 |
| − | AVERAGEMASS 434.48103999999995 | + | AVERAGEMASS 434.48103999999995 |
| − | SMILES c(c2)(C4=O)c(OC(=C4OC)c(c3)ccc(O)c(O)3)c(CC=C(C)C)c(c21)OC(C=C1)(C)C | + | SMILES c(c2)(C4=O)c(OC(=C4OC)c(c3)ccc(O)c(O)3)c(CC=C(C)C)c(c21)OC(C=C1)(C)C |
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
-1.4107 -0.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4107 -1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8544 -1.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2981 -1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2981 -0.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8544 -0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2582 -1.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8145 -1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8145 -0.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2582 -0.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2582 -1.8560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3706 -0.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9376 -0.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5046 -0.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5046 0.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9376 0.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3706 0.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9670 -0.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5233 -0.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5233 -1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9670 -1.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9368 0.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0714 -0.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8544 0.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4105 0.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4105 1.5349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9666 1.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8544 1.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9376 1.5660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0714 0.9114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6805 -1.5340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5465 -2.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 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
7 11 2 0 0 0 0
9 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 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 2 1 0 0 0 0
19 22 1 0 0 0 0
19 23 1 0 0 0 0
6 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
16 29 1 0 0 0 0
15 30 1 0 0 0 0
8 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 OCH3
M SVB 1 34 1.0134 -1.2402
S SKP 8
ID FL5F1CNP0003
KNApSAcK_ID C00005084
NAME Macaflavone II
CAS_RN 102822-11-7
FORMULA C26H26O6
EXACTMASS 434.172938564
AVERAGEMASS 434.48103999999995
SMILES c(c2)(C4=O)c(OC(=C4OC)c(c3)ccc(O)c(O)3)c(CC=C(C)C)c(c21)OC(C=C1)(C)C
M END
