Mol:FL7ACINS0001
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
− | -2.2410 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2410 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2410 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2410 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6847 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6847 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1284 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1284 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1284 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1284 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6847 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6847 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5721 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5721 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0158 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0158 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0158 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0158 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5721 0.1844 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -0.5721 0.1844 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
− | 0.5403 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5403 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1072 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1072 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6742 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6742 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6742 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6742 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1072 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1072 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5403 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5403 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6742 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6742 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6847 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6847 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5403 -1.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5403 -1.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5983 0.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5983 0.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0983 1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0983 1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5402 -0.3157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5402 -0.3157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4063 -0.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4063 -0.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3907 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3907 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8322 2.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8322 2.6396 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 2 0 0 0 0 | + | 9 10 2 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 |
− | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
− | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
− | 8 19 1 0 0 0 0 | + | 8 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 |
− | 13 22 1 0 0 0 0 | + | 13 22 1 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 15 24 1 0 0 0 0 | + | 15 24 1 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | M STY 1 3 SUP | + | M STY 1 3 SUP |
− | M SLB 1 3 3 | + | M SLB 1 3 3 |
− | M SAL 3 2 24 25 | + | M SAL 3 2 24 25 |
− | M SBL 3 1 26 | + | M SBL 3 1 26 |
− | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
− | M SVB 3 26 1.3907 1.7424 | + | M SVB 3 26 1.3907 1.7424 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 22 23 | + | M SAL 2 2 22 23 |
− | M SBL 2 1 24 | + | M SBL 2 1 24 |
− | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
− | M SVB 2 24 1.8838 -0.022 | + | M SVB 2 24 1.8838 -0.022 |
− | 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 -2.5983 0.482 | + | M SVB 1 22 -2.5983 0.482 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL7ACINS0001 | + | ID FL7ACINS0001 |
− | KNApSAcK_ID C00006619 | + | KNApSAcK_ID C00006619 |
− | NAME Hirsutidin | + | NAME Hirsutidin |
− | CAS_RN 4092-66-4 | + | CAS_RN 4092-66-4 |
− | FORMULA C18H17O7 | + | FORMULA C18H17O7 |
− | EXACTMASS 345.097427898 | + | EXACTMASS 345.097427898 |
− | AVERAGEMASS 345.32338000000004 | + | AVERAGEMASS 345.32338000000004 |
− | SMILES c(c1O)(OC)cc(c([o+1]3)c(O)cc(c32)c(O)cc(OC)c2)cc1OC | + | SMILES c(c1O)(OC)cc(c([o+1]3)c(O)cc(c32)c(O)cc(OC)c2)cc1OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -2.2410 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2410 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6847 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1284 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1284 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6847 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5721 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0158 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0158 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5721 0.1844 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.5403 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1072 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6742 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6742 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1072 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5403 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6742 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6847 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5403 -1.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5983 0.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0983 1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5402 -0.3157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4063 -0.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3907 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8322 2.6396 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 2 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 14 17 1 0 0 0 0 3 18 1 0 0 0 0 8 19 1 0 0 0 0 1 20 1 0 0 0 0 20 21 1 0 0 0 0 13 22 1 0 0 0 0 22 23 1 0 0 0 0 15 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 24 25 M SBL 3 1 26 M SMT 3 OCH3 M SVB 3 26 1.3907 1.7424 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 22 23 M SBL 2 1 24 M SMT 2 OCH3 M SVB 2 24 1.8838 -0.022 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 -2.5983 0.482 S SKP 8 ID FL7ACINS0001 KNApSAcK_ID C00006619 NAME Hirsutidin CAS_RN 4092-66-4 FORMULA C18H17O7 EXACTMASS 345.097427898 AVERAGEMASS 345.32338000000004 SMILES c(c1O)(OC)cc(c([o+1]3)c(O)cc(c32)c(O)cc(OC)c2)cc1OC M END