Mol:FL1DHXNS0001
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 23 24 0 0 0 0 0 0 0 0999 V2000 | + | 23 24 0 0 0 0 0 0 0 0999 V2000 |
− | -2.6440 0.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6440 0.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6440 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6440 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0900 -0.4702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0900 -0.4702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5360 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5360 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5360 0.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5360 0.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0900 0.8092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0900 0.8092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9823 -0.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9823 -0.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4297 -0.1511 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.4297 -0.1511 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | 0.1216 -0.4694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1216 -0.4694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6717 -0.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6717 -0.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2101 -0.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2101 -0.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7485 -0.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7485 -0.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7485 0.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7485 0.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2101 0.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2101 0.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6717 0.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6717 0.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9823 -1.1081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9823 -1.1081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4297 0.4912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4297 0.4912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0012 1.1081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0012 1.1081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5011 1.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5011 1.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5276 -0.6301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5276 -0.6301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8131 -1.0426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8131 -1.0426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2867 0.7807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2867 0.7807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0012 0.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0012 0.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
− | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
− | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
− | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
− | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
− | 6 1 1 0 0 0 0 | + | 6 1 1 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 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
− | 11 12 1 0 0 0 0 | + | 11 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
− | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
− | 8 17 1 0 0 0 0 | + | 8 17 1 0 0 0 0 |
− | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
− | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
− | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | 13 22 1 0 0 0 0 | + | 13 22 1 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 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 22 23 | + | M SAL 3 2 22 23 |
− | M SBL 3 1 23 | + | M SBL 3 1 23 |
− | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
− | M SVB 3 23 2.2867 0.7807 | + | M SVB 3 23 2.2867 0.7807 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 20 21 | + | M SAL 2 2 20 21 |
− | M SBL 2 1 21 | + | M SBL 2 1 21 |
− | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
− | M SVB 2 21 -2.5276 -0.6301 | + | M SVB 2 21 -2.5276 -0.6301 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 18 19 | + | M SAL 1 2 18 19 |
− | M SBL 1 1 19 | + | M SBL 1 1 19 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SVB 1 19 -3.0012 1.1081 | + | M SVB 1 19 -3.0012 1.1081 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL1DHXNS0001 | + | ID FL1DHXNS0001 |
− | KNApSAcK_ID C00000981 | + | KNApSAcK_ID C00000981 |
− | NAME O-Methylodoratol | + | NAME O-Methylodoratol |
− | CAS_RN 94943-13-2 | + | CAS_RN 94943-13-2 |
− | FORMULA C18H20O5 | + | FORMULA C18H20O5 |
− | EXACTMASS 316.13107375 | + | EXACTMASS 316.13107375 |
− | AVERAGEMASS 316.3484 | + | AVERAGEMASS 316.3484 |
− | SMILES c(c(C(=O)C(O)Cc(c2)ccc(OC)c2)1)(OC)cc(OC)cc1 | + | SMILES c(c(C(=O)C(O)Cc(c2)ccc(OC)c2)1)(OC)cc(OC)cc1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 23 24 0 0 0 0 0 0 0 0999 V2000 -2.6440 0.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6440 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0900 -0.4702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5360 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5360 0.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0900 0.8092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9823 -0.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4297 -0.1511 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1216 -0.4694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6717 -0.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2101 -0.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7485 -0.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7485 0.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2101 0.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6717 0.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9823 -1.1081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4297 0.4912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0012 1.1081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5011 1.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5276 -0.6301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8131 -1.0426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2867 0.7807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0012 0.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 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 10 1 0 0 0 0 7 16 2 0 0 0 0 8 17 1 0 0 0 0 1 18 1 0 0 0 0 18 19 1 0 0 0 0 3 20 1 0 0 0 0 20 21 1 0 0 0 0 13 22 1 0 0 0 0 22 23 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 22 23 M SBL 3 1 23 M SMT 3 OCH3 M SVB 3 23 2.2867 0.7807 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 20 21 M SBL 2 1 21 M SMT 2 OCH3 M SVB 2 21 -2.5276 -0.6301 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 18 19 M SBL 1 1 19 M SMT 1 OCH3 M SVB 1 19 -3.0012 1.1081 S SKP 8 ID FL1DHXNS0001 KNApSAcK_ID C00000981 NAME O-Methylodoratol CAS_RN 94943-13-2 FORMULA C18H20O5 EXACTMASS 316.13107375 AVERAGEMASS 316.3484 SMILES c(c(C(=O)C(O)Cc(c2)ccc(OC)c2)1)(OC)cc(OC)cc1 M END