Mol:FL2FAANI0008
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
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− | 1.1044 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1044 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | -0.0295 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0295 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | -2.2545 -2.4351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2545 -2.4351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3669 -0.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3669 -0.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6712 0.4736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6712 0.4736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | -2.8106 1.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8106 1.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | -2.2545 1.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2545 1.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5375 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5375 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
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− | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
− | 15 26 1 0 0 0 0 | + | 15 26 1 0 0 0 0 |
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− | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
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− | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
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− | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
− | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
− | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
− | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL2FAANI0008 | + | ID FL2FAANI0008 |
− | KNApSAcK_ID C00008268 | + | KNApSAcK_ID C00008268 |
− | NAME Hydroxysophoranone | + | NAME Hydroxysophoranone |
− | CAS_RN 90686-12-7 | + | CAS_RN 90686-12-7 |
− | FORMULA C30H36O5 | + | FORMULA C30H36O5 |
− | EXACTMASS 476.256274262 | + | EXACTMASS 476.256274262 |
− | AVERAGEMASS 476.60384000000005 | + | AVERAGEMASS 476.60384000000005 |
− | SMILES c(c3)(cc(c(O)c3CC=C(C)C)CC=C(C)C)C(C2)Oc(c(CC=C(C)C)1)c(C(=O)2)c(O)cc1O | + | SMILES c(c3)(cc(c(O)c3CC=C(C)C)CC=C(C)C)C(C2)Oc(c(CC=C(C)C)1)c(C(=O)2)c(O)cc1O |
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 37 0 0 0 0 0 0 0 0999 V2000 -2.8108 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8108 -1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2545 -1.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6982 -1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6982 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2545 -0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1419 -1.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5856 -1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5856 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1419 -0.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0295 -0.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1044 -0.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1044 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 0.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0295 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1419 -2.3368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2545 -2.4351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3669 -0.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6712 0.4736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2545 0.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8106 0.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8106 1.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3667 1.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2545 1.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1043 1.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1043 2.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5386 2.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6699 2.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6712 -0.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2369 -0.5091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8025 -0.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3669 -0.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8025 -1.4874 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 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 3 18 1 0 0 0 0 1 19 1 0 0 0 0 14 20 1 0 0 0 0 6 21 1 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 23 25 1 0 0 0 0 15 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 13 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 S SKP 8 ID FL2FAANI0008 KNApSAcK_ID C00008268 NAME Hydroxysophoranone CAS_RN 90686-12-7 FORMULA C30H36O5 EXACTMASS 476.256274262 AVERAGEMASS 476.60384000000005 SMILES c(c3)(cc(c(O)c3CC=C(C)C)CC=C(C)C)C(C2)Oc(c(CC=C(C)C)1)c(C(=O)2)c(O)cc1O M END