Mol:FL3FA9NCN002
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 26 29 0 0 0 0 0 0 0 0999 V2000 | + | 26 29 0 0 0 0 0 0 0 0999 V2000 |
− | -0.1001 -0.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1001 -0.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1001 0.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1001 0.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6550 0.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6550 0.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2098 0.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2098 0.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2098 -0.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2098 -0.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6550 -0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6550 -0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4548 -0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4548 -0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0096 -0.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0096 -0.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0096 0.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0096 0.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4548 0.6636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4548 0.6636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6382 0.5906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6382 0.5906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7083 -0.5852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7083 -0.5852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6550 -1.1239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6550 -1.1239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4548 -0.9991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4548 -0.9991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6353 0.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6353 0.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3041 0.5253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3041 0.5253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7936 1.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7936 1.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6145 1.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6145 1.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9457 1.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9457 1.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4561 1.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4561 1.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2924 -0.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2924 -0.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7936 -0.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7936 -0.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5193 -1.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5193 -1.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8485 -1.2449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8485 -1.2449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4918 -1.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4918 -1.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8568 -0.0309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8568 -0.0309 0.0000 H 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 |
− | 1 7 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 10 2 1 0 0 0 0 |
− | 4 11 1 0 0 0 0 | + | 4 11 1 0 0 0 0 |
− | 5 12 1 0 0 0 0 | + | 5 12 1 0 0 0 0 |
− | 6 13 1 0 0 0 0 | + | 6 13 1 0 0 0 0 |
− | 7 14 2 0 0 0 0 | + | 7 14 2 0 0 0 0 |
− | 9 15 1 0 0 0 0 | + | 9 15 1 0 0 0 0 |
− | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
− | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
− | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
− | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
− | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
− | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
− | 12 21 1 0 0 0 0 | + | 12 21 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 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 12 1 0 0 0 0 | + | 24 12 1 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 12 26 1 4 0 0 0 | + | 12 26 1 4 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL3FA9NCN002 | + | ID FL3FA9NCN002 |
− | KNApSAcK_ID C00002346 | + | KNApSAcK_ID C00002346 |
− | NAME Isoficine | + | NAME Isoficine |
− | CAS_RN 2255-62-1 | + | CAS_RN 2255-62-1 |
− | FORMULA C20H19NO4 | + | FORMULA C20H19NO4 |
− | EXACTMASS 337.131408101 | + | EXACTMASS 337.131408101 |
− | AVERAGEMASS 337.3692 | + | AVERAGEMASS 337.3692 |
− | SMILES c(C(=O)4)(c(OC(=C4)c(c3)cccc3)1)c(c(C(C2)(N(CC2)C)[H])c(O)c1)O | + | SMILES c(C(=O)4)(c(OC(=C4)c(c3)cccc3)1)c(c(C(C2)(N(CC2)C)[H])c(O)c1)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/ 26 29 0 0 0 0 0 0 0 0999 V2000 -0.1001 -0.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1001 0.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6550 0.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2098 0.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2098 -0.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6550 -0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4548 -0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0096 -0.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0096 0.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4548 0.6636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6382 0.5906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7083 -0.5852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6550 -1.1239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4548 -0.9991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6353 0.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3041 0.5253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7936 1.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6145 1.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9457 1.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4561 1.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2924 -0.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7936 -0.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5193 -1.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8485 -1.2449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4918 -1.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8568 -0.0309 0.0000 H 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 1 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 2 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 6 13 1 0 0 0 0 7 14 2 0 0 0 0 9 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 12 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 12 1 0 0 0 0 24 25 1 0 0 0 0 12 26 1 4 0 0 0 S SKP 8 ID FL3FA9NCN002 KNApSAcK_ID C00002346 NAME Isoficine CAS_RN 2255-62-1 FORMULA C20H19NO4 EXACTMASS 337.131408101 AVERAGEMASS 337.3692 SMILES c(C(=O)4)(c(OC(=C4)c(c3)cccc3)1)c(c(C(C2)(N(CC2)C)[H])c(O)c1)O M END