Mol:FL6DAGNS0001
From Metabolomics.JP
(Difference between revisions)
Line 1: | Line 1: | ||
− | + | ||
− | + | ||
− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
− | -2.0023 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0023 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0023 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0023 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4460 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4460 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8897 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8897 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8897 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8897 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4460 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4460 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3334 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3334 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2229 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2229 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2229 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2229 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3334 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3334 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7790 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7790 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3459 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3459 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9129 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9129 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9129 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9129 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3459 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3459 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7790 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7790 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4460 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4460 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3334 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3334 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4797 0.2539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4797 0.2539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3459 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3459 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4797 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4797 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7790 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7790 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4797 -0.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4797 -0.1822 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 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 |
− | 9 11 1 6 0 0 0 | + | 9 11 1 6 0 0 0 |
− | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
− | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
− | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
− | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
− | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
− | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
− | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
− | 7 18 1 1 0 0 0 | + | 7 18 1 1 0 0 0 |
− | 19 1 1 0 0 0 0 | + | 19 1 1 0 0 0 0 |
− | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
− | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
− | 8 22 1 1 0 0 0 | + | 8 22 1 1 0 0 0 |
− | 13 23 1 0 0 0 0 | + | 13 23 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL6DAGNS0001 | + | ID FL6DAGNS0001 |
− | KNApSAcK_ID C00008992 | + | KNApSAcK_ID C00008992 |
− | NAME Gallocatechin-4beta-ol | + | NAME Gallocatechin-4beta-ol |
− | CAS_RN 89819-67-6 | + | CAS_RN 89819-67-6 |
− | FORMULA C15H14O8 | + | FORMULA C15H14O8 |
− | EXACTMASS 322.068867424 | + | EXACTMASS 322.068867424 |
− | AVERAGEMASS 322.26686 | + | AVERAGEMASS 322.26686 |
− | SMILES Oc(c3)cc(O1)c(c(O)3)C(O)C(O)C1c(c2)cc(O)c(O)c(O)2 | + | SMILES Oc(c3)cc(O1)c(c(O)3)C(O)C(O)C1c(c2)cc(O)c(O)c(O)2 |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 23 25 0 0 0 0 0 0 0 0999 V2000 -2.0023 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0023 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4460 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8897 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8897 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4460 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3334 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2229 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2229 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3334 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3459 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9129 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9129 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3459 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4460 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3334 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4797 0.2539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3459 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4797 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4797 -0.1822 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 6 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 3 17 1 0 0 0 0 7 18 1 1 0 0 0 19 1 1 0 0 0 0 15 20 1 0 0 0 0 14 21 1 0 0 0 0 8 22 1 1 0 0 0 13 23 1 0 0 0 0 S SKP 8 ID FL6DAGNS0001 KNApSAcK_ID C00008992 NAME Gallocatechin-4beta-ol CAS_RN 89819-67-6 FORMULA C15H14O8 EXACTMASS 322.068867424 AVERAGEMASS 322.26686 SMILES Oc(c3)cc(O1)c(c(O)3)C(O)C(O)C1c(c2)cc(O)c(O)c(O)2 M END