Mol:FL2FE9NS0001
From Metabolomics.JP
(Difference between revisions)
Line 1: | Line 1: | ||
− | + | ||
− | + | ||
− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 20 22 0 0 0 0 0 0 0 0999 V2000 | + | 20 22 0 0 0 0 0 0 0 0999 V2000 |
− | -1.6796 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6796 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6796 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6796 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1233 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1233 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5670 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5670 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5670 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5670 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1233 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1233 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0107 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0107 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5456 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5456 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5456 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5456 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0107 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0107 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1017 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1017 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6687 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6687 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2357 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2357 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2357 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2357 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6687 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6687 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1017 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1017 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0107 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0107 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2357 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2357 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1233 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1233 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2357 -0.8121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2357 -0.8121 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 0 0 0 0 | + | 9 11 1 0 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 |
− | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
− | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
− | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
− | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL2FE9NS0001 | + | ID FL2FE9NS0001 |
− | KNApSAcK_ID C00008146 | + | KNApSAcK_ID C00008146 |
− | NAME Dihydrobaicalein | + | NAME Dihydrobaicalein |
− | CAS_RN 35683-17-1 | + | CAS_RN 35683-17-1 |
− | FORMULA C15H12O5 | + | FORMULA C15H12O5 |
− | EXACTMASS 272.068473494 | + | EXACTMASS 272.068473494 |
− | AVERAGEMASS 272.25278000000003 | + | AVERAGEMASS 272.25278000000003 |
− | SMILES Oc(c1)c(O)c(O)c(C(=O)3)c1OC(C3)c(c2)cccc2 | + | SMILES Oc(c1)c(O)c(O)c(C(=O)3)c1OC(C3)c(c2)cccc2 |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 20 22 0 0 0 0 0 0 0 0999 V2000 -1.6796 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6796 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1233 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1233 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0107 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5456 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5456 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0107 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1017 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6687 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2357 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2357 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6687 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1017 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0107 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2357 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1233 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2357 -0.8121 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 0 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 7 17 2 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 2 20 1 0 0 0 0 S SKP 8 ID FL2FE9NS0001 KNApSAcK_ID C00008146 NAME Dihydrobaicalein CAS_RN 35683-17-1 FORMULA C15H12O5 EXACTMASS 272.068473494 AVERAGEMASS 272.25278000000003 SMILES Oc(c1)c(O)c(O)c(C(=O)3)c1OC(C3)c(c2)cccc2 M END