Mol:FL3F1LNI0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 32 0 0 0 0 0 0 0 0999 V2000 | + | 30 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.0489 0.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0489 0.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0489 -0.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0489 -0.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4926 -0.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4926 -0.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9363 -0.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9363 -0.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9363 0.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9363 0.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4926 0.4687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4926 0.4687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3800 -0.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3800 -0.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8237 -0.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8237 -0.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8237 0.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8237 0.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3800 0.4687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3800 0.4687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3800 -1.3169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3800 -1.3169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2676 0.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2676 0.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2994 0.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2994 0.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8663 0.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8663 0.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8663 1.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8663 1.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2994 1.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2994 1.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2676 1.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2676 1.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6050 0.4686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6050 0.4686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3798 1.3580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3798 1.3580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2674 -0.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2674 -0.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2887 -0.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2887 -0.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8436 -0.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8436 -0.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3973 -0.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3973 -0.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9498 -0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9498 -0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8436 -1.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8436 -1.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5024 -0.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5024 -0.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0537 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0537 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6050 -0.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6050 -0.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0537 -1.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0537 -1.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8344 1.4505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8344 1.4505 0.0000 O 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 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 17 30 1 0 0 0 0 | + | 17 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3F1LNI0001 | + | ID FL3F1LNI0001 |
| − | KNApSAcK_ID C00004018 | + | KNApSAcK_ID C00004018 |
| − | NAME Rubraflavone A | + | NAME Rubraflavone A |
| − | CAS_RN 54510-13-3 | + | CAS_RN 54510-13-3 |
| − | FORMULA C25H26O5 | + | FORMULA C25H26O5 |
| − | EXACTMASS 406.178023942 | + | EXACTMASS 406.178023942 |
| − | AVERAGEMASS 406.47094 | + | AVERAGEMASS 406.47094 |
| − | SMILES C(=C(C)CCC=C(C)C)CC(C(=O)2)=C(Oc(c3)c(ccc(O)3)2)c(c1O)ccc(O)c1 | + | SMILES C(=C(C)CCC=C(C)C)CC(C(=O)2)=C(Oc(c3)c(ccc(O)3)2)c(c1O)ccc(O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 32 0 0 0 0 0 0 0 0999 V2000
-3.0489 0.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0489 -0.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4926 -0.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9363 -0.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9363 0.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4926 0.4687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3800 -0.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8237 -0.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8237 0.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3800 0.4687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3800 -1.3169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2676 0.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2994 0.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8663 0.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8663 1.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2994 1.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2676 1.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6050 0.4686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3798 1.3580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2674 -0.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2887 -0.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8436 -0.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3973 -0.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9498 -0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8436 -1.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5024 -0.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0537 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6050 -0.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0537 -1.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8344 1.4505 0.0000 O 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
19 15 1 0 0 0 0
8 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
22 25 1 0 0 0 0
24 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
17 30 1 0 0 0 0
S SKP 8
ID FL3F1LNI0001
KNApSAcK_ID C00004018
NAME Rubraflavone A
CAS_RN 54510-13-3
FORMULA C25H26O5
EXACTMASS 406.178023942
AVERAGEMASS 406.47094
SMILES C(=C(C)CCC=C(C)C)CC(C(=O)2)=C(Oc(c3)c(ccc(O)3)2)c(c1O)ccc(O)c1
M END
