Mol:FLIA1GNS0001
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 |
− | -2.0045 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0045 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0045 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0045 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4482 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8919 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8919 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8919 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8919 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4482 1.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 1.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3356 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3356 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2207 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2207 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2207 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2207 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3356 1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3356 1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5606 1.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5606 1.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7768 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7768 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7768 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7768 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3716 -0.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3716 -0.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9664 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9664 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9664 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9664 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3716 0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3716 0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3356 -0.4264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3356 -0.4264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5606 -0.8140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5606 -0.8140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3716 -1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3716 -1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5606 0.5589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5606 0.5589 0.0000 O 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 |
− | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
− | 8 12 1 0 0 0 0 | + | 8 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 |
− | 7 18 2 0 0 0 0 | + | 7 18 2 0 0 0 0 |
− | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
− | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
− | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLIA1GNS0001 | + | ID FLIA1GNS0001 |
− | KNApSAcK_ID C00009394 | + | KNApSAcK_ID C00009394 |
− | NAME Baptigenin | + | NAME Baptigenin |
− | CAS_RN 5908-63-4 | + | CAS_RN 5908-63-4 |
− | FORMULA C15H10O6 | + | FORMULA C15H10O6 |
− | EXACTMASS 286.047738052 | + | EXACTMASS 286.047738052 |
− | AVERAGEMASS 286.2363 | + | AVERAGEMASS 286.2363 |
− | SMILES Oc(c3)cc(O2)c(c3)C(=O)C(=C2)c(c1)cc(O)c(O)c(O)1 | + | SMILES Oc(c3)cc(O2)c(c3)C(=O)C(=C2)c(c1)cc(O)c(O)c(O)1 |
M END | M END | ||
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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 -2.0045 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0045 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4482 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8919 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8919 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4482 1.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3356 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2207 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2207 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3356 1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5606 1.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7768 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7768 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3716 -0.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9664 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9664 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3716 0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3356 -0.4264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5606 -0.8140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3716 -1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5606 0.5589 0.0000 O 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 1 11 1 0 0 0 0 8 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 7 18 2 0 0 0 0 15 19 1 0 0 0 0 14 20 1 0 0 0 0 16 21 1 0 0 0 0 S SKP 8 ID FLIA1GNS0001 KNApSAcK_ID C00009394 NAME Baptigenin CAS_RN 5908-63-4 FORMULA C15H10O6 EXACTMASS 286.047738052 AVERAGEMASS 286.2363 SMILES Oc(c3)cc(O2)c(c3)C(=O)C(=C2)c(c1)cc(O)c(O)c(O)1 M END