Mol:FL3FAAGS0011
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.4179 0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4179 0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4179 -0.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4179 -0.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2832 -0.9992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2832 -0.9992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9844 -0.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9844 -0.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9844 0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9844 0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2832 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2832 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6856 -0.9992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6856 -0.9992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3867 -0.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3867 -0.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3867 0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3867 0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6856 0.6201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6856 0.6201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6856 -1.8577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6856 -1.8577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0876 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0876 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8023 0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8023 0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5168 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5168 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5168 1.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5168 1.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8023 1.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8023 1.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0876 1.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0876 1.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1189 0.6199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1189 0.6199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2832 -1.8085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2832 -1.8085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2313 1.8575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2313 1.8575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6814 0.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6814 0.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9504 -0.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9504 -0.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0724 0.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0724 0.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1114 0.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1114 0.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7676 0.9224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7676 0.9224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7222 0.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7222 0.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2313 0.1990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2313 0.1990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6940 -0.2820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6940 -0.2820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2300 -0.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2300 -0.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2701 1.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2701 1.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9716 1.1337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9716 1.1337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9011 1.7728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9011 1.7728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0005 1.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0005 1.2528 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 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 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 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 32 33 | + | M SAL 1 2 32 33 |
| − | M SBL 1 1 36 | + | M SBL 1 1 36 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 36 -0.3690 -0.6390 | + | M SBV 1 36 -0.3690 -0.6390 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAAGS0011 | + | ID FL3FAAGS0011 |
| − | FORMULA C22H20O11 | + | FORMULA C22H20O11 |
| − | EXACTMASS 460.100561482 | + | EXACTMASS 460.100561482 |
| − | AVERAGEMASS 460.3876 | + | AVERAGEMASS 460.3876 |
| − | SMILES OC(C4O)C(OC(C(OC)=O)C(O)4)Oc(c3)cc(c(c3O)1)OC(c(c2)ccc(c2)O)=CC1=O | + | SMILES OC(C4O)C(OC(C(OC)=O)C(O)4)Oc(c3)cc(c(c3O)1)OC(c(c2)ccc(c2)O)=CC1=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-0.4179 0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4179 -0.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2832 -0.9992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9844 -0.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9844 0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2832 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6856 -0.9992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3867 -0.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3867 0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6856 0.6201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6856 -1.8577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0876 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8023 0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5168 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5168 1.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8023 1.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0876 1.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1189 0.6199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2832 -1.8085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2313 1.8575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6814 0.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9504 -0.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0724 0.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1114 0.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7676 0.9224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7222 0.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2313 0.1990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6940 -0.2820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2300 -0.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2701 1.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9716 1.1337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9011 1.7728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0005 1.2528 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
3 19 1 0 0 0 0
15 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 18 1 0 0 0 0
26 30 1 0 0 0 0
30 31 2 0 0 0 0
32 33 1 0 0 0 0
30 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 36
M SMT 1 OCH3
M SBV 1 36 -0.3690 -0.6390
S SKP 5
ID FL3FAAGS0011
FORMULA C22H20O11
EXACTMASS 460.100561482
AVERAGEMASS 460.3876
SMILES OC(C4O)C(OC(C(OC)=O)C(O)4)Oc(c3)cc(c(c3O)1)OC(c(c2)ccc(c2)O)=CC1=O
M END
