Mol:FLIAAAND0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 35 0 0 0 0 0 0 0 0999 V2000 | + | 31 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5940 -0.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5940 -0.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8833 0.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8833 0.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8833 1.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8833 1.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5940 1.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5940 1.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3048 1.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3048 1.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3048 0.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3048 0.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1725 -0.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1725 -0.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5382 0.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5382 0.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5382 1.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5382 1.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1725 1.5556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1725 1.5556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2701 -0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2701 -0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2701 -0.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2701 -0.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9883 -1.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9883 -1.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7066 -0.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7066 -0.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7066 -0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7066 -0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9883 0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9883 0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4248 -1.3421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4248 -1.3421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1431 -0.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1431 -0.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1431 -0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1431 -0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4248 0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4248 0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0853 1.3988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0853 1.3988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5677 0.7349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5677 0.7349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0853 0.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0853 0.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5940 -0.7295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5940 -0.7295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1725 -0.6985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1725 -0.6985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2176 0.7349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2176 0.7349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5224 1.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5224 1.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8292 0.7349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8292 0.7349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4890 0.2649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4890 0.2649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5058 -1.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5058 -1.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8292 -0.7435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8292 -0.7435 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 |
| − | 2 7 1 0 0 0 0 | + | 2 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 3 1 0 0 0 0 | + | 10 3 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 6 1 0 0 0 0 | + | 23 6 1 0 0 0 0 |
| − | 1 24 1 0 0 0 0 | + | 1 24 1 0 0 0 0 |
| − | 7 25 2 0 0 0 0 | + | 7 25 2 0 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 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 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 18 30 1 0 0 0 0 | + | 18 30 1 0 0 0 0 |
| − | 18 31 1 0 0 0 0 | + | 18 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAAAND0003 | + | ID FLIAAAND0003 |
| − | KNApSAcK_ID C00011151 | + | KNApSAcK_ID C00011151 |
| − | NAME Ulexin D | + | NAME Ulexin D |
| − | CAS_RN 405304-96-3 | + | CAS_RN 405304-96-3 |
| − | FORMULA C25H24O6 | + | FORMULA C25H24O6 |
| − | EXACTMASS 420.1572885 | + | EXACTMASS 420.1572885 |
| − | AVERAGEMASS 420.45446 | + | AVERAGEMASS 420.45446 |
| − | SMILES c(c2C(C5=O)=COc(c45)cc(O3)c(c4O)CC3C(C)(C)O)c(C=1)c(cc2)OC(C1)(C)C | + | SMILES c(c2C(C5=O)=COc(c45)cc(O3)c(c4O)CC3C(C)(C)O)c(C=1)c(cc2)OC(C1)(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 35 0 0 0 0 0 0 0 0999 V2000
-1.5940 -0.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8833 0.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8833 1.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5940 1.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3048 1.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3048 0.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1725 -0.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5382 0.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5382 1.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1725 1.5556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2701 -0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2701 -0.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9883 -1.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7066 -0.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7066 -0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9883 0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4248 -1.3421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1431 -0.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1431 -0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4248 0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0853 1.3988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5677 0.7349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0853 0.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5940 -0.7295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1725 -0.6985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2176 0.7349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5224 1.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8292 0.7349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4890 0.2649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5058 -1.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8292 -0.7435 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
2 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 3 1 0 0 0 0
8 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
14 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 15 1 0 0 0 0
5 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 6 1 0 0 0 0
1 24 1 0 0 0 0
7 25 2 0 0 0 0
22 26 1 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
26 29 1 0 0 0 0
18 30 1 0 0 0 0
18 31 1 0 0 0 0
S SKP 8
ID FLIAAAND0003
KNApSAcK_ID C00011151
NAME Ulexin D
CAS_RN 405304-96-3
FORMULA C25H24O6
EXACTMASS 420.1572885
AVERAGEMASS 420.45446
SMILES c(c2C(C5=O)=COc(c45)cc(O3)c(c4O)CC3C(C)(C)O)c(C=1)c(cc2)OC(C1)(C)C
M END
