Mol:FL1AAKGM0001
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 39 0 0 0 0 0 0 0 0999 V2000 | + | 36 39 0 0 0 0 0 0 0 0999 V2000 |
− | -2.4414 0.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4414 0.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7058 0.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7058 0.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7058 1.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7058 1.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4414 2.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4414 2.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1771 1.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1771 1.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1771 0.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1771 0.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8979 0.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8979 0.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3986 1.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3986 1.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8979 2.0394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8979 2.0394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.8368 2.1576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8368 2.1576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.8212 0.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8212 0.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7411 0.0797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7411 0.0797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3712 1.8293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3712 1.8293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1997 1.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1997 1.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6122 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6122 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4370 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4370 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8496 1.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8496 1.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4370 2.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4370 2.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6122 2.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6122 2.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7655 2.6560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7655 2.6560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4109 2.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4109 2.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4311 1.3727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4311 1.3727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.0870 1.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0870 1.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9394 0.1560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9394 0.1560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6420 0.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6420 0.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4692 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4692 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4027 -2.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4027 -2.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8373 -1.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8373 -1.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0041 -1.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0041 -1.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0705 -0.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0705 -0.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6360 -1.3321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6360 -1.3321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.9068 -2.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9068 -2.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.0870 -2.5628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0870 -2.5628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8373 -2.6560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8373 -2.6560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6037 -1.9551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6037 -1.9551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4414 -0.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4414 -0.1875 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 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
− | 9 3 1 0 0 0 0 | + | 9 3 1 0 0 0 0 |
− | 5 10 1 0 0 0 0 | + | 5 10 1 0 0 0 0 |
− | 6 11 1 0 0 0 0 | + | 6 11 1 0 0 0 0 |
− | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
− | 8 13 2 0 0 0 0 | + | 8 13 2 0 0 0 0 |
− | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
− | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
− | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
− | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
− | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
− | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
− | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
− | 18 20 1 0 0 0 0 | + | 18 20 1 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | 17 22 1 0 0 0 0 | + | 17 22 1 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 16 24 1 0 0 0 0 | + | 16 24 1 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 27 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
− | 29 28 1 1 0 0 0 | + | 29 28 1 1 0 0 0 |
− | 30 29 1 1 0 0 0 | + | 30 29 1 1 0 0 0 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | 31 26 1 0 0 0 0 | + | 31 26 1 0 0 0 0 |
− | 26 32 1 0 0 0 0 | + | 26 32 1 0 0 0 0 |
− | 27 33 1 0 0 0 0 | + | 27 33 1 0 0 0 0 |
− | 28 34 1 0 0 0 0 | + | 28 34 1 0 0 0 0 |
− | 29 35 1 0 0 0 0 | + | 29 35 1 0 0 0 0 |
− | 1 36 1 0 0 0 0 | + | 1 36 1 0 0 0 0 |
− | 36 30 1 0 0 0 0 | + | 36 30 1 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL1AAKGM0001 | + | ID FL1AAKGM0001 |
− | FORMULA C25H28O11 | + | FORMULA C25H28O11 |
− | EXACTMASS 504.163161738 | + | EXACTMASS 504.163161738 |
− | AVERAGEMASS 504.48322 | + | AVERAGEMASS 504.48322 |
− | SMILES C(C)(C(O)1)OC(Oc(c42)c(C)c(cc2oc(c4=O)=Cc(c3)cc(c(OC)c3OC)OC)O)C(O)C(O)1 | + | SMILES C(C)(C(O)1)OC(Oc(c42)c(C)c(cc2oc(c4=O)=Cc(c3)cc(c(OC)c3OC)OC)O)C(O)C(O)1 |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 36 39 0 0 0 0 0 0 0 0999 V2000 -2.4414 0.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7058 0.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7058 1.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4414 2.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1771 1.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1771 0.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8979 0.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3986 1.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8979 2.0394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8368 2.1576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8212 0.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7411 0.0797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3712 1.8293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1997 1.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6122 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4370 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8496 1.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4370 2.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6122 2.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7655 2.6560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4109 2.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4311 1.3727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0870 1.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9394 0.1560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6420 0.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4692 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4027 -2.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8373 -1.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0041 -1.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0705 -0.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6360 -1.3321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9068 -2.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0870 -2.5628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8373 -2.6560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6037 -1.9551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4414 -0.1875 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 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 3 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 2 0 0 0 0 8 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 17 22 1 0 0 0 0 22 23 1 0 0 0 0 16 24 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 1 0 0 0 29 28 1 1 0 0 0 30 29 1 1 0 0 0 30 31 1 0 0 0 0 31 26 1 0 0 0 0 26 32 1 0 0 0 0 27 33 1 0 0 0 0 28 34 1 0 0 0 0 29 35 1 0 0 0 0 1 36 1 0 0 0 0 36 30 1 0 0 0 0 S SKP 5 ID FL1AAKGM0001 FORMULA C25H28O11 EXACTMASS 504.163161738 AVERAGEMASS 504.48322 SMILES C(C)(C(O)1)OC(Oc(c42)c(C)c(cc2oc(c4=O)=Cc(c3)cc(c(OC)c3OC)OC)O)C(O)C(O)1 M END