Mol:FL3F1LNI0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 35 37 0 0 0 0 0 0 0 0999 V2000 | + | 35 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.0489 -0.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0489 -0.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0489 -0.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0489 -0.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4926 -1.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4926 -1.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9363 -0.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9363 -0.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9363 -0.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9363 -0.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4926 -0.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4926 -0.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3800 -1.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3800 -1.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8237 -0.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8237 -0.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8237 -0.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8237 -0.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3800 -0.0035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3800 -0.0035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3800 -1.7891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3800 -1.7891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2676 -0.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2676 -0.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2994 -0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2994 -0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8663 -0.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8663 -0.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8663 0.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8663 0.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2994 0.9784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2994 0.9784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2676 0.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2676 0.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6050 -0.0037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6050 -0.0037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3798 0.8857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3798 0.8857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2674 -1.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2674 -1.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2887 -0.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2887 -0.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8436 -1.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8436 -1.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3973 -0.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3973 -0.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9498 -1.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9498 -1.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8436 -1.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8436 -1.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5024 -0.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5024 -0.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0537 -1.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0537 -1.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6050 -0.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6050 -0.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0537 -1.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0537 -1.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8344 0.9783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8344 0.9783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4926 0.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4926 0.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0487 0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0487 0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0487 1.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0487 1.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6048 1.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6048 1.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4926 1.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4926 1.9228 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 |
| − | 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 |
| − | 6 31 1 0 0 0 0 | + | 6 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3F1LNI0002 | + | ID FL3F1LNI0002 |
| − | KNApSAcK_ID C00004023 | + | KNApSAcK_ID C00004023 |
| − | NAME Rubraflavone B | + | NAME Rubraflavone B |
| − | CAS_RN 54835-68-6 | + | CAS_RN 54835-68-6 |
| − | FORMULA C30H34O5 | + | FORMULA C30H34O5 |
| − | EXACTMASS 474.240624198 | + | EXACTMASS 474.240624198 |
| − | AVERAGEMASS 474.58796000000007 | + | AVERAGEMASS 474.58796000000007 |
| − | SMILES C(O1)(c(c3O)ccc(O)c3)=C(CC=C(C)CCC=C(C)C)C(=O)c(c2)c1c(c(O)c2)CC=C(C)C | + | SMILES C(O1)(c(c3O)ccc(O)c3)=C(CC=C(C)CCC=C(C)C)C(=O)c(c2)c1c(c(O)c2)CC=C(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
35 37 0 0 0 0 0 0 0 0999 V2000
-3.0489 -0.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0489 -0.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4926 -1.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9363 -0.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9363 -0.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4926 -0.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3800 -1.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8237 -0.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8237 -0.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3800 -0.0035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3800 -1.7891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2676 -0.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2994 -0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8663 -0.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8663 0.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2994 0.9784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2676 0.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6050 -0.0037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3798 0.8857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2674 -1.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2887 -0.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8436 -1.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3973 -0.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9498 -1.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8436 -1.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5024 -0.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0537 -1.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6050 -0.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0537 -1.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8344 0.9783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4926 0.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0487 0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0487 1.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6048 1.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4926 1.9228 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
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
6 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
33 34 1 0 0 0 0
33 35 1 0 0 0 0
S SKP 8
ID FL3F1LNI0002
KNApSAcK_ID C00004023
NAME Rubraflavone B
CAS_RN 54835-68-6
FORMULA C30H34O5
EXACTMASS 474.240624198
AVERAGEMASS 474.58796000000007
SMILES C(O1)(c(c3O)ccc(O)c3)=C(CC=C(C)CCC=C(C)C)C(=O)c(c2)c1c(c(O)c2)CC=C(C)C
M END
