Mol:FL1C1ANI0013
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 34 35 0 0 0 0 0 0 0 0999 V2000 | + | 34 35 0 0 0 0 0 0 0 0999 V2000 |
− | 1.1774 -0.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1774 -0.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1774 -0.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1774 -0.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7337 -1.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7337 -1.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2900 -0.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2900 -0.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2900 -0.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2900 -0.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7337 -0.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7337 -0.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0796 -0.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0796 -0.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4767 -1.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4767 -1.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6357 -1.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6357 -1.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1966 -0.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1966 -0.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6357 -1.9259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6357 -1.9259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1966 -0.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1966 -0.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7493 0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7493 0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3019 -0.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3019 -0.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3019 -0.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3019 -0.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7493 -1.2706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7493 -1.2706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8463 -0.0005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8463 -0.0005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7493 -1.9087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7493 -1.9087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8544 0.0056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8544 0.0056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8544 -1.2705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8544 -1.2705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4058 -0.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4058 -0.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.9571 -1.2705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9571 -1.2705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.5084 -0.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5084 -0.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.9571 -1.9071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9571 -1.9071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7337 0.6416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7337 0.6416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2898 0.9627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2898 0.9627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2898 1.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2898 1.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7337 1.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7337 1.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8459 1.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8459 1.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8461 -1.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8461 -1.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4010 -0.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4010 -0.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9547 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9547 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5084 -0.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5084 -0.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9547 -1.9238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9547 -1.9238 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 |
− | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
− | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
− | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
− | 10 12 2 0 0 0 0 | + | 10 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
− | 17 5 1 0 0 0 0 | + | 17 5 1 0 0 0 0 |
− | 18 16 1 0 0 0 0 | + | 18 16 1 0 0 0 0 |
− | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
− | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
− | 6 25 1 0 0 0 0 | + | 6 25 1 0 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
− | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
− | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
− | 4 30 1 0 0 0 0 | + | 4 30 1 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 |
− | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL1C1ANI0013 | + | ID FL1C1ANI0013 |
− | KNApSAcK_ID C00007074 | + | KNApSAcK_ID C00007074 |
− | NAME Sophoradin | + | NAME Sophoradin |
− | CAS_RN 23057-54-7 | + | CAS_RN 23057-54-7 |
− | FORMULA C30H36O4 | + | FORMULA C30H36O4 |
− | EXACTMASS 460.26135963999997 | + | EXACTMASS 460.26135963999997 |
− | AVERAGEMASS 460.60444 | + | AVERAGEMASS 460.60444 |
− | SMILES c(c(O)1)(C(C=Cc(c2)cc(CC=C(C)C)c(c(CC=C(C)C)2)O)=O)ccc(c1CC=C(C)C)O | + | SMILES c(c(O)1)(C(C=Cc(c2)cc(CC=C(C)C)c(c(CC=C(C)C)2)O)=O)ccc(c1CC=C(C)C)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/ 34 35 0 0 0 0 0 0 0 0999 V2000 1.1774 -0.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1774 -0.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7337 -1.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 -0.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 -0.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7337 -0.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0796 -0.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4767 -1.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6357 -1.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1966 -0.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6357 -1.9259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1966 -0.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7493 0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3019 -0.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3019 -0.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7493 -1.2706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8463 -0.0005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7493 -1.9087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8544 0.0056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8544 -1.2705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4058 -0.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9571 -1.2705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5084 -0.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9571 -1.9071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7337 0.6416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2898 0.9627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2898 1.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7337 1.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8459 1.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8461 -1.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4010 -0.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9547 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5084 -0.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9547 -1.9238 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 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 2 8 1 0 0 0 0 10 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 10 1 0 0 0 0 17 5 1 0 0 0 0 18 16 1 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 6 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 4 30 1 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 32 34 1 0 0 0 0 S SKP 8 ID FL1C1ANI0013 KNApSAcK_ID C00007074 NAME Sophoradin CAS_RN 23057-54-7 FORMULA C30H36O4 EXACTMASS 460.26135963999997 AVERAGEMASS 460.60444 SMILES c(c(O)1)(C(C=Cc(c2)cc(CC=C(C)C)c(c(CC=C(C)C)2)O)=O)ccc(c1CC=C(C)C)O M END