Mol:FL2FA9NC0005
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 35 39 0 0 0 0 0 0 0 0999 V2000 | + | 35 39 0 0 0 0 0 0 0 0999 V2000 |
− | -1.0615 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0615 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5406 -0.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5406 -0.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0197 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0197 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0197 0.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0197 0.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5406 0.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5406 0.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0615 0.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0615 0.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5406 -1.1519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5406 -1.1519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5011 -0.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5011 -0.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0220 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0220 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0220 0.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0220 0.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5011 0.5564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5011 0.5564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5424 0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5424 0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5011 -1.1704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5011 -1.1704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0768 0.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0768 0.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6111 0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6111 0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6111 1.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6111 1.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0768 1.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0768 1.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5424 1.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5424 1.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5819 -0.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5819 -0.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5819 -1.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5819 -1.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0967 -1.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0967 -1.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0967 -2.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0967 -2.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5819 -2.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5819 -2.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0670 -2.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0670 -2.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0670 -1.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0670 -1.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6111 -1.2473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6111 -1.2473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5819 0.5561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5819 0.5561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5406 1.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5406 1.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1731 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1731 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3698 1.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3698 1.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9126 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9126 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9126 2.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9126 2.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3698 2.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3698 2.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1731 2.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1731 2.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6156 2.3781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6156 2.3781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
− | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
− | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
− | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
− | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
− | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
− | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
− | 3 8 1 0 0 0 0 | + | 3 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 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
− | 11 4 1 0 0 0 0 | + | 11 4 1 0 0 0 0 |
− | 10 12 1 0 0 0 0 | + | 10 12 1 0 0 0 0 |
− | 8 13 2 0 0 0 0 | + | 8 13 2 0 0 0 0 |
− | 12 14 2 0 0 0 0 | + | 12 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
− | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
− | 18 12 1 0 0 0 0 | + | 18 12 1 0 0 0 0 |
− | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
− | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
− | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
− | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
− | 21 26 1 0 0 0 0 | + | 21 26 1 0 0 0 0 |
− | 6 27 1 0 0 0 0 | + | 6 27 1 0 0 0 0 |
− | 5 28 1 0 0 0 0 | + | 5 28 1 0 0 0 0 |
− | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
− | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | 31 32 2 0 0 0 0 | + | 31 32 2 0 0 0 0 |
− | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
− | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
− | 34 29 1 0 0 0 0 | + | 34 29 1 0 0 0 0 |
− | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL2FA9NC0005 | + | ID FL2FA9NC0005 |
− | KNApSAcK_ID C00008390 | + | KNApSAcK_ID C00008390 |
− | NAME Dichamanetin | + | NAME Dichamanetin |
− | CAS_RN 58779-09-2 | + | CAS_RN 58779-09-2 |
− | FORMULA C29H24O6 | + | FORMULA C29H24O6 |
− | EXACTMASS 468.1572885 | + | EXACTMASS 468.1572885 |
− | AVERAGEMASS 468.49726 | + | AVERAGEMASS 468.49726 |
− | SMILES C(c(c4O)c(O)c(Cc(c5)c(ccc5)O)c(c42)OC(c(c3)cccc3)CC2=O)c(c1)c(ccc1)O | + | SMILES C(c(c4O)c(O)c(Cc(c5)c(ccc5)O)c(c42)OC(c(c3)cccc3)CC2=O)c(c1)c(ccc1)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 35 39 0 0 0 0 0 0 0 0999 V2000 -1.0615 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5406 -0.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0197 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0197 0.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5406 0.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0615 0.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5406 -1.1519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5011 -0.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 0.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5011 0.5564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5424 0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5011 -1.1704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0768 0.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6111 0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6111 1.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0768 1.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5424 1.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5819 -0.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5819 -1.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0967 -1.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0967 -2.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5819 -2.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0670 -2.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0670 -1.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6111 -1.2473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5819 0.5561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5406 1.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1731 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3698 1.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9126 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9126 2.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3698 2.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1731 2.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6156 2.3781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 3 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 4 1 0 0 0 0 10 12 1 0 0 0 0 8 13 2 0 0 0 0 12 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 12 1 0 0 0 0 1 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 20 1 0 0 0 0 21 26 1 0 0 0 0 6 27 1 0 0 0 0 5 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 29 1 0 0 0 0 34 35 1 0 0 0 0 S SKP 8 ID FL2FA9NC0005 KNApSAcK_ID C00008390 NAME Dichamanetin CAS_RN 58779-09-2 FORMULA C29H24O6 EXACTMASS 468.1572885 AVERAGEMASS 468.49726 SMILES C(c(c4O)c(O)c(Cc(c5)c(ccc5)O)c(c42)OC(c(c3)cccc3)CC2=O)c(c1)c(ccc1)O M END