Mol:FL3F98NS0011
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7950 -1.9028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7950 -1.9028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7390 -1.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7390 -1.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2652 -0.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2652 -0.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8473 -1.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8473 -1.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9033 -1.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9033 -1.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3771 -2.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3771 -2.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3735 -0.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3735 -0.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9557 -1.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9557 -1.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0117 -1.7089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0117 -1.7089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4855 -2.0773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4855 -2.0773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3299 -0.2985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3299 -0.2985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5937 -1.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5937 -1.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1300 -1.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1300 -1.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.7234 -1.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7234 -1.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.7804 -2.5335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7804 -2.5335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2441 -2.9091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2441 -2.9091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6507 -2.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6507 -2.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2092 -0.2547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2092 -0.2547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6863 -1.4793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6863 -1.4793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3621 -1.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3621 -1.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0725 -1.5361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0725 -1.5361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6560 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6560 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3488 -3.2799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3488 -3.2799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9263 -4.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9263 -4.1863 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 17 23 1 0 0 0 0 | + | 17 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 23 24 | + | M SAL 3 2 23 24 |
| − | M SBL 3 1 25 | + | M SBL 3 1 25 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 25 0.8237 1.6001 | + | M SVB 3 25 0.8237 1.6001 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 21 22 | + | M SAL 2 2 21 22 |
| − | M SBL 2 1 23 | + | M SBL 2 1 23 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 23 -2.3149 -0.5453 | + | M SVB 2 23 -2.3149 -0.5453 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 19 20 | + | M SAL 1 2 19 20 |
| − | M SBL 1 1 21 | + | M SBL 1 1 21 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 21 1.3168 -0.1643 | + | M SVB 1 21 1.3168 -0.1643 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3F98NS0011 | + | ID FL3F98NS0011 |
| − | KNApSAcK_ID C00003856 | + | KNApSAcK_ID C00003856 |
| − | NAME Zapotinin | + | NAME Zapotinin |
| − | CAS_RN 14813-20-8 | + | CAS_RN 14813-20-8 |
| − | FORMULA C18H16O6 | + | FORMULA C18H16O6 |
| − | EXACTMASS 328.094688244 | + | EXACTMASS 328.094688244 |
| − | AVERAGEMASS 328.31604 | + | AVERAGEMASS 328.31604 |
| − | SMILES O(c12)C(c(c(OC)3)c(OC)ccc3)=CC(c(c(O)c(OC)cc2)1)=O | + | SMILES O(c12)C(c(c(OC)3)c(OC)ccc3)=CC(c(c(O)c(OC)cc2)1)=O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 -1.7950 -1.9028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7390 -1.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2652 -0.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8473 -1.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9033 -1.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3771 -2.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3735 -0.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9557 -1.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0117 -1.7089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4855 -2.0773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3299 -0.2985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5937 -1.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1300 -1.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7234 -1.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7804 -2.5335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2441 -2.9091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6507 -2.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2092 -0.2547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6863 -1.4793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3621 -1.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0725 -1.5361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6560 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3488 -3.2799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9263 -4.1863 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 3 18 1 0 0 0 0 13 19 1 0 0 0 0 19 20 1 0 0 0 0 2 21 1 0 0 0 0 21 22 1 0 0 0 0 17 23 1 0 0 0 0 23 24 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 23 24 M SBL 3 1 25 M SMT 3 OCH3 M SVB 3 25 0.8237 1.6001 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 21 22 M SBL 2 1 23 M SMT 2 OCH3 M SVB 2 23 -2.3149 -0.5453 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 19 20 M SBL 1 1 21 M SMT 1 OCH3 M SVB 1 21 1.3168 -0.1643 S SKP 8 ID FL3F98NS0011 KNApSAcK_ID C00003856 NAME Zapotinin CAS_RN 14813-20-8 FORMULA C18H16O6 EXACTMASS 328.094688244 AVERAGEMASS 328.31604 SMILES O(c12)C(c(c(OC)3)c(OC)ccc3)=CC(c(c(O)c(OC)cc2)1)=O M END
