Mol:FL3FA8GS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.1406 0.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1406 0.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1406 -0.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1406 -0.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5607 -1.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5607 -1.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2619 -0.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2619 -0.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2619 0.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2619 0.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5607 0.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5607 0.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9631 -1.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9631 -1.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6643 -0.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6643 -0.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6643 0.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6643 0.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9631 0.4671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9631 0.4671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9645 -1.8881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9645 -1.8881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3653 0.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3653 0.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0801 0.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0801 0.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7948 0.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7948 0.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7948 1.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7948 1.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0801 1.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0801 1.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3653 1.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3653 1.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8416 0.4670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8416 0.4670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9831 0.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9831 0.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3330 -0.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3330 -0.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3970 0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3970 0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4940 0.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4940 0.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1502 0.7609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1502 0.7609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9691 0.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9691 0.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7784 0.2328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7784 0.2328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2211 -0.1963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2211 -0.1963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5295 -0.4358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5295 -0.4358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6508 1.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6508 1.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5621 -1.9547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5621 -1.9547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7549 1.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7549 1.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7948 1.0548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7948 1.0548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2352 1.9547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2352 1.9547 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 20 1 1 0 0 0 | + | 19 20 1 1 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 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 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 18 1 0 0 0 0 | + | 22 18 1 0 0 0 0 |
| − | 17 28 1 0 0 0 0 | + | 17 28 1 0 0 0 0 |
| − | 3 29 1 0 0 0 0 | + | 3 29 1 0 0 0 0 |
| − | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 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 3 30 31 32 | + | M SAL 1 3 30 31 32 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 ^COOH | + | M SMT 1 ^COOH |
| − | M SBV 1 35 0.7858 -0.7263 | + | M SBV 1 35 0.7858 -0.7263 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FA8GS0001 | + | ID FL3FA8GS0001 |
| − | FORMULA C21H18O11 | + | FORMULA C21H18O11 |
| − | EXACTMASS 446.084911418 | + | EXACTMASS 446.084911418 |
| − | AVERAGEMASS 446.36102 | + | AVERAGEMASS 446.36102 |
| − | SMILES c(C(=C4)Oc(c3C(=O)4)cc(cc(O)3)OC(C(O)2)OC(C(O)=O)C(O)C2O)(c(O)1)cccc1 | + | SMILES c(C(=C4)Oc(c3C(=O)4)cc(cc(O)3)OC(C(O)2)OC(C(O)=O)C(O)C2O)(c(O)1)cccc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-0.1406 0.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1406 -0.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5607 -1.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2619 -0.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2619 0.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5607 0.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9631 -1.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6643 -0.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6643 0.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9631 0.4671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9645 -1.8881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3653 0.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0801 0.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7948 0.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7948 1.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0801 1.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3653 1.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8416 0.4670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9831 0.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3330 -0.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3970 0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4940 0.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1502 0.7609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9691 0.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7784 0.2328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2211 -0.1963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5295 -0.4358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6508 1.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5621 -1.9547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7549 1.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7948 1.0548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2352 1.9547 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 20 1 1 0 0 0
20 21 1 1 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 18 1 0 0 0 0
17 28 1 0 0 0 0
3 29 1 0 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
24 30 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 30 31 32
M SBL 1 1 35
M SMT 1 ^COOH
M SBV 1 35 0.7858 -0.7263
S SKP 5
ID FL3FA8GS0001
FORMULA C21H18O11
EXACTMASS 446.084911418
AVERAGEMASS 446.36102
SMILES c(C(=C4)Oc(c3C(=O)4)cc(cc(O)3)OC(C(O)2)OC(C(O)=O)C(O)C2O)(c(O)1)cccc1
M END
