Mol:FL3FACGS0011
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.5498 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5498 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5498 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5498 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1514 -1.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1514 -1.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8525 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8525 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8525 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8525 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1514 0.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1514 0.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5534 -1.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5534 -1.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2545 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2545 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2545 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2545 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5534 0.1823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5534 0.1823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5548 -2.2343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5548 -2.2343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9553 0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9553 0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6698 -0.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6698 -0.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3843 0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3843 0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3843 1.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3843 1.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6698 1.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6698 1.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9553 1.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9553 1.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3572 0.2437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3572 0.2437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1514 -2.2446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1514 -2.2446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6698 2.2446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6698 2.2446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0988 1.4196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0988 1.4196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4440 0.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4440 0.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8236 -0.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8236 -0.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9581 -0.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9581 -0.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1230 -0.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1230 -0.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7299 0.4436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7299 0.4436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4871 0.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4871 0.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0988 -0.2401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0988 -0.2401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4912 -0.5354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4912 -0.5354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1309 -0.6557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1309 -0.6557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9304 0.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9304 0.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6570 0.5686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6570 0.5686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6004 1.2698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6004 1.2698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8534 1.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8534 1.2698 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 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 31 32 2 0 0 0 0 | + | 31 32 2 0 0 0 0 |
| − | 31 33 1 0 0 0 0 | + | 31 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FACGS0011 | + | ID FL3FACGS0011 |
| − | FORMULA C22H20O12 | + | FORMULA C22H20O12 |
| − | EXACTMASS 476.095476104 | + | EXACTMASS 476.095476104 |
| − | AVERAGEMASS 476.387 | + | AVERAGEMASS 476.387 |
| − | SMILES c(c3)(c(c(cc3OC(O4)C(O)C(C(O)C4C(OC)=O)O)O)1)OC(c(c2)ccc(c2O)O)=CC1=O | + | SMILES c(c3)(c(c(cc3OC(O4)C(O)C(C(O)C4C(OC)=O)O)O)1)OC(c(c2)ccc(c2O)O)=CC1=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-0.5498 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5498 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1514 -1.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8525 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8525 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1514 0.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5534 -1.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2545 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2545 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5534 0.1823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5548 -2.2343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9553 0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6698 -0.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3843 0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3843 1.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6698 1.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9553 1.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3572 0.2437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1514 -2.2446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6698 2.2446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0988 1.4196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4440 0.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8236 -0.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9581 -0.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1230 -0.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7299 0.4436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4871 0.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0988 -0.2401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4912 -0.5354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1309 -0.6557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9304 0.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6570 0.5686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6004 1.2698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8534 1.2698 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
18 1 1 0 0 0 0
3 19 1 0 0 0 0
16 20 1 0 0 0 0
15 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 18 1 0 0 0 0
27 31 1 0 0 0 0
31 32 2 0 0 0 0
31 33 1 0 0 0 0
33 34 1 0 0 0 0
S SKP 5
ID FL3FACGS0011
FORMULA C22H20O12
EXACTMASS 476.095476104
AVERAGEMASS 476.387
SMILES c(c3)(c(c(cc3OC(O4)C(O)C(C(O)C4C(OC)=O)O)O)1)OC(c(c2)ccc(c2O)O)=CC1=O
M END
