Mol:FL1C3CNS0002
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 22 23 0 0 0 0 0 0 0 0999 V2000 | + | 22 23 0 0 0 0 0 0 0 0999 V2000 |
− | -2.1529 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1529 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1529 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1529 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5966 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5966 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0403 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0403 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0403 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0403 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5966 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5966 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4840 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4840 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0723 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0723 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6284 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6284 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1845 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1845 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7455 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7455 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3065 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3065 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3065 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3065 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7455 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7455 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1845 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1845 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4840 -0.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4840 -0.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7090 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7090 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5966 -0.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5966 -0.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8674 0.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8674 0.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8674 -0.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8674 -0.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8674 0.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8674 0.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1529 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1529 -0.3252 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 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 |
− | 1 17 1 0 0 0 0 | + | 1 17 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 |
− | 12 20 1 0 0 0 0 | + | 12 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 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 21 22 | + | M SAL 1 2 21 22 |
− | M SBL 1 1 22 | + | M SBL 1 1 22 |
− | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
− | M SBV 1 22 -5.6064 2.7096 | + | M SBV 1 22 -5.6064 2.7096 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL1C3CNS0002 | + | ID FL1C3CNS0002 |
− | KNApSAcK_ID C00006970 | + | KNApSAcK_ID C00006970 |
− | NAME Lanceoletin | + | NAME Lanceoletin |
− | CAS_RN 6542-59-2 | + | CAS_RN 6542-59-2 |
− | FORMULA C16H14O6 | + | FORMULA C16H14O6 |
− | EXACTMASS 302.07903818 | + | EXACTMASS 302.07903818 |
− | AVERAGEMASS 302.27876000000003 | + | AVERAGEMASS 302.27876000000003 |
− | SMILES COc(c(O)2)c(O)c(cc2)C(=O)C=Cc(c1)cc(O)c(O)c1 | + | SMILES COc(c(O)2)c(O)c(cc2)C(=O)C=Cc(c1)cc(O)c(O)c1 |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 22 23 0 0 0 0 0 0 0 0999 V2000 -2.1529 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1529 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5966 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0403 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0403 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5966 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4840 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0723 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6284 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1845 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7455 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3065 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3065 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7455 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1845 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4840 -0.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7090 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5966 -0.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8674 0.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8674 -0.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8674 0.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1529 -0.3252 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 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 1 17 1 0 0 0 0 3 18 1 0 0 0 0 13 19 1 0 0 0 0 12 20 1 0 0 0 0 2 21 1 0 0 0 0 21 22 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 21 22 M SBL 1 1 22 M SMT 1 ^OCH3 M SBV 1 22 -5.6064 2.7096 S SKP 8 ID FL1C3CNS0002 KNApSAcK_ID C00006970 NAME Lanceoletin CAS_RN 6542-59-2 FORMULA C16H14O6 EXACTMASS 302.07903818 AVERAGEMASS 302.27876000000003 SMILES COc(c(O)2)c(O)c(cc2)C(=O)C=Cc(c1)cc(O)c(O)c1 M END