Mol:FL5FACGS0028
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 43 47 0 0 0 0 0 0 0 0999 V2000 | + | 43 47 0 0 0 0 0 0 0 0999 V2000 |
− | -3.5397 0.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5397 0.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5397 -0.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5397 -0.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9834 -0.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9834 -0.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4271 -0.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4271 -0.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4271 0.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4271 0.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9834 0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9834 0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8708 -0.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8708 -0.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3145 -0.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3145 -0.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3145 0.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3145 0.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8708 0.9207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8708 0.9207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8708 -0.8649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8708 -0.8649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6140 1.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6140 1.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0471 0.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0471 0.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5199 1.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5199 1.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5199 1.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5199 1.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0471 2.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0471 2.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6140 1.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6140 1.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9834 -1.0062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9834 -1.0062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1267 2.0493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1267 2.0493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.0347 0.9207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0347 0.9207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7512 -0.4524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7512 -0.4524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0471 2.6808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0471 2.6808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1110 -1.7524 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -0.1110 -1.7524 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 0.5172 -2.1151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.5172 -2.1151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 0.3179 -1.4176 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.3179 -1.4176 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | 0.5172 -0.7159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5172 -0.7159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1110 -0.3531 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -0.1110 -0.3531 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 0.0883 -1.0507 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.0883 -1.0507 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 0.8586 -1.0507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8586 -1.0507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0504 -2.3546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0504 -2.3546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3656 -2.6808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3656 -2.6808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9381 -1.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9381 -1.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6183 -0.8249 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 1.6183 -0.8249 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 2.0607 -1.4088 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.0607 -1.4088 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 2.6978 -1.1611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.6978 -1.1611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 3.3125 -1.1545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.3125 -1.1545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 2.8658 -0.7077 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 2.8658 -0.7077 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | 2.3085 -1.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3085 -1.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3710 -1.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3710 -1.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0628 -1.7739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0628 -1.7739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.3037 -1.2867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3037 -1.2867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3202 -0.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3202 -0.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7985 0.1818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7985 0.1818 0.0000 O 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 |
− | 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 |
− | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
− | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
− | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
− | 12 13 2 0 0 0 0 | + | 12 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 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
− | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
− | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
− | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
− | 21 8 1 0 0 0 0 | + | 21 8 1 0 0 0 0 |
− | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
− | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
− | 24 23 1 1 0 0 0 | + | 24 23 1 1 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 1 0 0 0 | + | 27 28 1 1 0 0 0 |
− | 28 23 1 1 0 0 0 | + | 28 23 1 1 0 0 0 |
− | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
− | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
− | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
− | 25 32 1 0 0 0 0 | + | 25 32 1 0 0 0 0 |
− | 27 21 1 0 0 0 0 | + | 27 21 1 0 0 0 0 |
− | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
− | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
− | 36 35 1 1 0 0 0 | + | 36 35 1 1 0 0 0 |
− | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
− | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
− | 38 33 1 0 0 0 0 | + | 38 33 1 0 0 0 0 |
− | 34 39 1 0 0 0 0 | + | 34 39 1 0 0 0 0 |
− | 35 40 1 0 0 0 0 | + | 35 40 1 0 0 0 0 |
− | 29 33 1 0 0 0 0 | + | 29 33 1 0 0 0 0 |
− | 36 41 1 0 0 0 0 | + | 36 41 1 0 0 0 0 |
− | 37 42 1 0 0 0 0 | + | 37 42 1 0 0 0 0 |
− | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 42 43 | + | M SAL 1 2 42 43 |
− | M SBL 1 1 46 | + | M SBL 1 1 46 |
− | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
− | M SVB 1 46 3.3202 -0.6964 | + | M SVB 1 46 3.3202 -0.6964 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FACGS0028 | + | ID FL5FACGS0028 |
− | KNApSAcK_ID C00005417 | + | KNApSAcK_ID C00005417 |
− | NAME Quercetin 3-glucosyl-(1->2)-rhamnoside | + | NAME Quercetin 3-glucosyl-(1->2)-rhamnoside |
− | CAS_RN - | + | CAS_RN - |
− | FORMULA C27H30O16 | + | FORMULA C27H30O16 |
− | EXACTMASS 610.153384912 | + | EXACTMASS 610.153384912 |
− | AVERAGEMASS 610.5175 | + | AVERAGEMASS 610.5175 |
− | SMILES c(c5O)c(cc(c53)OC(c(c4)ccc(O)c4O)=C(C3=O)O[C@H]([C@@H](O[C@@H](O2)[C@@H]([C@H](O)[C@@H](C2CO)O)O)1)OC(C)[C@@H](O)[C@H]1O)O | + | SMILES c(c5O)c(cc(c53)OC(c(c4)ccc(O)c4O)=C(C3=O)O[C@H]([C@@H](O[C@@H](O2)[C@@H]([C@H](O)[C@@H](C2CO)O)O)1)OC(C)[C@@H](O)[C@H]1O)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/ 43 47 0 0 0 0 0 0 0 0999 V2000 -3.5397 0.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5397 -0.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9834 -0.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4271 -0.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4271 0.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9834 0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 -0.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3145 -0.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3145 0.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 0.9207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 -0.8649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6140 1.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0471 0.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5199 1.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5199 1.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0471 2.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6140 1.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9834 -1.0062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1267 2.0493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0347 0.9207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7512 -0.4524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0471 2.6808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 -1.7524 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5172 -2.1151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3179 -1.4176 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5172 -0.7159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 -0.3531 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0883 -1.0507 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8586 -1.0507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0504 -2.3546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3656 -2.6808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9381 -1.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6183 -0.8249 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0607 -1.4088 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6978 -1.1611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3125 -1.1545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8658 -0.7077 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3085 -1.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3710 -1.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0628 -1.7739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3037 -1.2867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3202 -0.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7985 0.1818 0.0000 O 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 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 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 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 12 1 0 0 0 0 3 18 1 0 0 0 0 19 15 1 0 0 0 0 20 1 1 0 0 0 0 21 8 1 0 0 0 0 4 3 1 0 0 0 0 16 22 1 0 0 0 0 24 23 1 1 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 1 0 0 0 28 23 1 1 0 0 0 28 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 25 32 1 0 0 0 0 27 21 1 0 0 0 0 33 34 1 1 0 0 0 34 35 1 1 0 0 0 36 35 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 34 39 1 0 0 0 0 35 40 1 0 0 0 0 29 33 1 0 0 0 0 36 41 1 0 0 0 0 37 42 1 0 0 0 0 42 43 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 42 43 M SBL 1 1 46 M SMT 1 CH2OH M SVB 1 46 3.3202 -0.6964 S SKP 8 ID FL5FACGS0028 KNApSAcK_ID C00005417 NAME Quercetin 3-glucosyl-(1->2)-rhamnoside CAS_RN - FORMULA C27H30O16 EXACTMASS 610.153384912 AVERAGEMASS 610.5175 SMILES c(c5O)c(cc(c53)OC(c(c4)ccc(O)c4O)=C(C3=O)O[C@H]([C@@H](O[C@@H](O2)[C@@H]([C@H](O)[C@@H](C2CO)O)O)1)OC(C)[C@@H](O)[C@H]1O)O M END