Mol:FL3FQUNP0001
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 36 41 0 0 0 0 0 0 0 0999 V2000 | + | 36 41 0 0 0 0 0 0 0 0999 V2000 |
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− | 1.0717 1.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 1.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3572 2.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 2.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3572 1.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 1.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7862 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5006 1.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 1.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5006 1.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 1.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7862 2.2936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 2.2936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3572 3.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 3.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3572 3.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 3.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0717 3.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 3.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | -1.0717 -1.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 -1.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
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− | 18 12 1 0 0 0 0 | + | 18 12 1 0 0 0 0 |
− | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
− | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 22 14 1 0 0 0 0 | + | 22 14 1 0 0 0 0 |
− | 7 23 2 0 0 0 0 | + | 7 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 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 |
− | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
− | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
− | 21 30 1 0 0 0 0 | + | 21 30 1 0 0 0 0 |
− | 17 31 1 0 0 0 0 | + | 17 31 1 0 0 0 0 |
− | 17 32 1 0 0 0 0 | + | 17 32 1 0 0 0 0 |
− | 4 33 1 0 0 0 0 | + | 4 33 1 0 0 0 0 |
− | 4 34 1 0 0 0 0 | + | 4 34 1 0 0 0 0 |
− | 28 35 2 0 0 0 0 | + | 28 35 2 0 0 0 0 |
− | 26 36 1 0 0 0 0 | + | 26 36 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL3FQUNP0001 | + | ID FL3FQUNP0001 |
− | KNApSAcK_ID C00013430 | + | KNApSAcK_ID C00013430 |
− | NAME Dorsilurin E;2,(6Z)-6-(3,4,7,8,12,13-Hexahydro-2,2,6,6,13,13-hexamethyl-2H,6H,10H,11H-tripyrano[3,2-c:2',3'-f:2'',3''-h][1]benzopyran-10-ylidene)-3-hydroxy-4-cyclohexadien-1-one | + | NAME Dorsilurin E;2,(6Z)-6-(3,4,7,8,12,13-Hexahydro-2,2,6,6,13,13-hexamethyl-2H,6H,10H,11H-tripyrano[3,2-c:2',3'-f:2'',3''-h][1]benzopyran-10-ylidene)-3-hydroxy-4-cyclohexadien-1-one |
− | CAS_RN 254101-17-2 | + | CAS_RN 254101-17-2 |
− | FORMULA C30H34O6 | + | FORMULA C30H34O6 |
− | EXACTMASS 490.23553882 | + | EXACTMASS 490.23553882 |
− | AVERAGEMASS 490.58736000000005 | + | AVERAGEMASS 490.58736000000005 |
− | SMILES c(c54)(O6)c(CCC6(C)C)c(c2c4OC(CC5)(C)C)OC(=c(c3)c(=O)cc(O)c3)C(=C21)CCC(C)(C)O1 | + | SMILES c(c54)(O6)c(CCC6(C)C)c(c2c4OC(CC5)(C)C)OC(=c(c3)c(=O)cc(O)c3)C(=C21)CCC(C)(C)O1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 36 41 0 0 0 0 0 0 0 0999 V2000 -1.0717 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 1.0561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.1814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 2.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 1.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 1.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 2.2936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 3.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 3.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 3.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 2.2936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -2.6564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -3.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -2.6564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8842 2.9754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3539 3.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3131 1.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7828 2.6564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3131 0.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7828 1.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.4189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -3.8939 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 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 2 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 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 13 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 14 1 0 0 0 0 7 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 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 28 23 1 0 0 0 0 21 29 1 0 0 0 0 21 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 28 35 2 0 0 0 0 26 36 1 0 0 0 0 S SKP 8 ID FL3FQUNP0001 KNApSAcK_ID C00013430 NAME Dorsilurin E;2,(6Z)-6-(3,4,7,8,12,13-Hexahydro-2,2,6,6,13,13-hexamethyl-2H,6H,10H,11H-tripyrano[3,2-c:2',3'-f:2'',3''-h][1]benzopyran-10-ylidene)-3-hydroxy-4-cyclohexadien-1-one CAS_RN 254101-17-2 FORMULA C30H34O6 EXACTMASS 490.23553882 AVERAGEMASS 490.58736000000005 SMILES c(c54)(O6)c(CCC6(C)C)c(c2c4OC(CC5)(C)C)OC(=c(c3)c(=O)cc(O)c3)C(=C21)CCC(C)(C)O1 M END