Mol:FL3FALNI0011
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 36 38 0 0 0 0 0 0 0 0999 V2000 | + | 36 38 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2160 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2160 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2160 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2160 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6597 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6597 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1034 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1034 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1034 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1034 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6597 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6597 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5471 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5471 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0092 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0092 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0092 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0092 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5471 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5471 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5471 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5471 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5653 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5653 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1323 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1323 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6993 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6993 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6993 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6993 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1323 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1323 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5653 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5653 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7721 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7721 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2128 1.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2128 1.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5655 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5655 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1216 -0.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1216 -0.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6765 -0.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6765 -0.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2303 -0.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2303 -0.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7828 -0.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7828 -0.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6765 -1.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6765 -1.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3353 -0.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3353 -0.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8866 -0.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8866 -0.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4380 -0.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4380 -0.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8866 -1.4468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8866 -1.4468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0015 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0015 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7721 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7721 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3282 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3282 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8831 -0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8831 -0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4380 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4380 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8831 -1.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8831 -1.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6597 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6597 -1.4544 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 |
| − | 2 31 1 0 0 0 0 | + | 2 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 |
| − | 3 36 1 0 0 0 0 | + | 3 36 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FALNI0011 | + | ID FL3FALNI0011 |
| − | KNApSAcK_ID C00004037 | + | KNApSAcK_ID C00004037 |
| − | NAME Rubraflavone C | + | NAME Rubraflavone C |
| − | CAS_RN 54835-67-5 | + | CAS_RN 54835-67-5 |
| − | FORMULA C30H34O6 | + | FORMULA C30H34O6 |
| − | EXACTMASS 490.23553882 | + | EXACTMASS 490.23553882 |
| − | AVERAGEMASS 490.58736000000005 | + | AVERAGEMASS 490.58736000000005 |
| − | SMILES C(c32)(C(=C(Oc2cc(O)c(c(O)3)CC=C(C)C)c(c1)c(O)cc(c1)O)CC=C(C)CCC=C(C)C)=O | + | SMILES C(c32)(C(=C(Oc2cc(O)c(c(O)3)CC=C(C)C)c(c1)c(O)cc(c1)O)CC=C(C)CCC=C(C)C)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
36 38 0 0 0 0 0 0 0 0999 V2000
-2.2160 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2160 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6597 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1034 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1034 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6597 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5471 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0092 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0092 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5471 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5471 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5653 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1323 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6993 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6993 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1323 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5653 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7721 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2128 1.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5655 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1216 -0.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6765 -0.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2303 -0.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7828 -0.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6765 -1.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3353 -0.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8866 -0.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4380 -0.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8866 -1.4468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0015 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7721 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3282 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8831 -0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4380 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8831 -1.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6597 -1.4544 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
2 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
3 36 1 0 0 0 0
S SKP 8
ID FL3FALNI0011
KNApSAcK_ID C00004037
NAME Rubraflavone C
CAS_RN 54835-67-5
FORMULA C30H34O6
EXACTMASS 490.23553882
AVERAGEMASS 490.58736000000005
SMILES C(c32)(C(=C(Oc2cc(O)c(c(O)3)CC=C(C)C)c(c1)c(O)cc(c1)O)CC=C(C)CCC=C(C)C)=O
M END
