Mol:FL5F39NS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 23 0 0 0 0 0 0 0 0999 V2000 | + | 21 23 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6796 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6796 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6796 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6796 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1233 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1233 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5670 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5670 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5670 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5670 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1233 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1233 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0107 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0107 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5456 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5456 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5456 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5456 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0107 0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0107 0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0107 -1.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0107 -1.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1017 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1017 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6687 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6687 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2357 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2357 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2357 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2357 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6687 1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6687 1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1017 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1017 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1017 -0.8828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1017 -0.8828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2357 0.4017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2357 0.4017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8452 0.9749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8452 0.9749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4086 1.8746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4086 1.8746 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 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 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 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 22 -0.8452 0.9749 | + | M SVB 1 22 -0.8452 0.9749 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5F39NS0001 | + | ID FL5F39NS0001 |
| − | KNApSAcK_ID C00004539 | + | KNApSAcK_ID C00004539 |
| − | NAME Zuccagin | + | NAME Zuccagin |
| − | CAS_RN 94393-12-1 | + | CAS_RN 94393-12-1 |
| − | FORMULA C16H12O5 | + | FORMULA C16H12O5 |
| − | EXACTMASS 284.068473494 | + | EXACTMASS 284.068473494 |
| − | AVERAGEMASS 284.26348 | + | AVERAGEMASS 284.26348 |
| − | SMILES COc(c(O)3)c(O1)c(cc3)C(=O)C(O)=C(c(c2)cccc2)1 | + | SMILES COc(c(O)3)c(O1)c(cc3)C(=O)C(O)=C(c(c2)cccc2)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-1.6796 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6796 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1233 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5670 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5670 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1233 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0107 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5456 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5456 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0107 0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0107 -1.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1017 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2357 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2357 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1017 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1017 -0.8828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2357 0.4017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8452 0.9749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4086 1.8746 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
8 18 1 0 0 0 0
1 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 -0.8452 0.9749
S SKP 8
ID FL5F39NS0001
KNApSAcK_ID C00004539
NAME Zuccagin
CAS_RN 94393-12-1
FORMULA C16H12O5
EXACTMASS 284.068473494
AVERAGEMASS 284.26348
SMILES COc(c(O)3)c(O1)c(cc3)C(=O)C(O)=C(c(c2)cccc2)1
M END
