Mol:FL4DAANI0010
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 40 42 0 0 0 0 0 0 0 0999 V2000 | + | 40 42 0 0 0 0 0 0 0 0999 V2000 |
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− | -7.4823 1.2698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -7.4823 1.2698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | -3.2347 -0.4034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2347 -0.4034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | -3.9492 -1.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9492 -1.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5203 -1.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5203 -1.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8058 -1.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8058 -1.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0913 -1.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0913 -1.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3769 -1.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3769 -1.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3376 -1.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3376 -1.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0521 -1.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0521 -1.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7665 -1.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7665 -1.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4810 -1.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4810 -1.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1955 -1.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1955 -1.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9100 -1.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9100 -1.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.6244 -1.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6244 -1.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.3389 -1.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3389 -1.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 6.0534 -1.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0534 -1.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
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− | 5 7 1 0 0 0 0 | + | 5 7 1 0 0 0 0 |
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− | 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 6 1 0 0 0 0 | + | 10 6 1 0 0 0 0 |
− | 9 11 1 6 0 0 0 | + | 9 11 1 6 0 0 0 |
− | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
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− | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
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− | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
− | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
− | 4 18 1 0 0 0 0 | + | 4 18 1 0 0 0 0 |
− | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
− | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
− | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 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 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
− | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
− | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
− | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
− | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
− | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
− | 30 36 1 0 0 0 0 | + | 30 36 1 0 0 0 0 |
− | 35 37 1 0 0 0 0 | + | 35 37 1 0 0 0 0 |
− | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
− | 37 40 1 0 0 0 0 | + | 37 40 1 0 0 0 0 |
− | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL4DAANI0010 | + | ID FL4DAANI0010 |
− | KNApSAcK_ID C00014405 | + | KNApSAcK_ID C00014405 |
− | NAME Muscanone;5,7,4'-Trihydroxy-3-O-(1,8,14-trimethylhexadecanyl)flavanone | + | NAME Muscanone;5,7,4'-Trihydroxy-3-O-(1,8,14-trimethylhexadecanyl)flavanone |
− | CAS_RN 556014-15-4 | + | CAS_RN 556014-15-4 |
− | FORMULA C34H50O6 | + | FORMULA C34H50O6 |
− | EXACTMASS 554.360739332 | + | EXACTMASS 554.360739332 |
− | AVERAGEMASS 554.7572 | + | AVERAGEMASS 554.7572 |
− | SMILES c(O)(c1)ccc(C(O3)C(OC(CCCCCCC(CCCCCC(C)CC)C)C)C(=O)c(c32)c(cc(c2)O)O)c1 | + | SMILES c(O)(c1)ccc(C(O3)C(OC(CCCCCCC(CCCCCC(C)CC)C)C)C(=O)c(c32)c(cc(c2)O)O)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 40 42 0 0 0 0 0 0 0 0999 V2000 -6.7740 0.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0539 1.2569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7828 0.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0700 -0.3931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3544 0.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3431 0.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6413 -0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9232 -0.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9164 0.8189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6230 1.2373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1781 1.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1692 2.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 2.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7417 2.0470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7481 1.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4680 0.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6562 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0700 -1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4823 1.2698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1621 2.3816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2347 -0.4034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2347 -1.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9492 -1.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5203 -1.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8058 -1.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0913 -1.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3769 -1.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3376 -1.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0521 -1.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7665 -1.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 -1.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1955 -1.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9100 -1.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6244 -1.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3389 -1.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7665 -2.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0534 -1.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0534 -2.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4823 -1.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7678 -1.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 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 2 1 0 0 0 0 5 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 6 1 0 0 0 0 9 11 1 6 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 4 18 1 0 0 0 0 1 19 1 0 0 0 0 14 20 1 0 0 0 0 8 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 30 36 1 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 37 40 1 0 0 0 0 39 40 1 0 0 0 0 S SKP 8 ID FL4DAANI0010 KNApSAcK_ID C00014405 NAME Muscanone;5,7,4'-Trihydroxy-3-O-(1,8,14-trimethylhexadecanyl)flavanone CAS_RN 556014-15-4 FORMULA C34H50O6 EXACTMASS 554.360739332 AVERAGEMASS 554.7572 SMILES c(O)(c1)ccc(C(O3)C(OC(CCCCCCC(CCCCCC(C)CC)C)C)C(=O)c(c32)c(cc(c2)O)O)c1 M END