Mol:FLNA2ANS0001
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 |
− | -0.9985 1.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9985 1.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9985 0.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9985 0.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4981 0.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4981 0.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0024 0.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0024 0.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0024 1.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0024 1.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4981 1.5454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4981 1.5454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5028 0.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5028 0.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0033 0.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0033 0.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0033 1.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0033 1.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5028 1.5454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5028 1.5454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4987 0.3898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4987 0.3898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5028 -0.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5028 -0.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0202 -0.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0202 -0.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0202 -1.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0202 -1.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5028 -1.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5028 -1.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9854 -1.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9854 -1.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9854 -0.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9854 -0.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4987 1.5424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4987 1.5424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5028 -1.8593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5028 -1.8593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3649 1.8593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3649 1.8593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8842 2.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8842 2.7139 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 2 0 0 0 0 | + | 7 8 2 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
− | 2 11 1 0 0 0 0 | + | 2 11 1 0 0 0 0 |
− | 7 12 1 0 0 0 0 | + | 7 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 |
− | 9 18 2 0 0 0 0 | + | 9 18 2 0 0 0 0 |
− | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
− | 1 20 1 0 0 0 0 | + | 1 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 -1.3649 1.8593 | + | M SVB 1 22 -1.3649 1.8593 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLNA2ANS0001 | + | ID FLNA2ANS0001 |
− | KNApSAcK_ID C00002548 | + | KNApSAcK_ID C00002548 |
− | NAME Melannin;Melanettin | + | NAME Melannin;Melanettin |
− | CAS_RN 58115-08-5 | + | CAS_RN 58115-08-5 |
− | FORMULA C16H12O5 | + | FORMULA C16H12O5 |
− | EXACTMASS 284.068473494 | + | EXACTMASS 284.068473494 |
− | AVERAGEMASS 284.26348 | + | AVERAGEMASS 284.26348 |
− | SMILES COc(c3)c(O)cc(c23)C(=CC(=O)O2)c(c1)ccc(O)c1 | + | SMILES COc(c3)c(O)cc(c23)C(=CC(=O)O2)c(c1)ccc(O)c1 |
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 -0.9985 1.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9985 0.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4981 0.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0024 0.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0024 1.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4981 1.5454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5028 0.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0033 0.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0033 1.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5028 1.5454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4987 0.3898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5028 -0.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0202 -0.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0202 -1.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5028 -1.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9854 -1.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9854 -0.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4987 1.5424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5028 -1.8593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3649 1.8593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8842 2.7139 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 2 11 1 0 0 0 0 7 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 9 18 2 0 0 0 0 15 19 1 0 0 0 0 1 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 -1.3649 1.8593 S SKP 8 ID FLNA2ANS0001 KNApSAcK_ID C00002548 NAME Melannin;Melanettin CAS_RN 58115-08-5 FORMULA C16H12O5 EXACTMASS 284.068473494 AVERAGEMASS 284.26348 SMILES COc(c3)c(O)cc(c23)C(=CC(=O)O2)c(c1)ccc(O)c1 M END