Mol:FL5FFAGS0012
From Metabolomics.JP
(Difference between revisions)
Line 1: | Line 1: | ||
− | + | ||
− | + | ||
− | 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 |
− | -1.6310 -0.6427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6310 -0.6427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6310 -1.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6310 -1.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9166 -1.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9166 -1.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2021 -1.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2021 -1.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2021 -0.6427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2021 -0.6427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9166 -0.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9166 -0.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5123 -1.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5123 -1.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2268 -1.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2268 -1.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2268 -0.6427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2268 -0.6427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5123 -0.2302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5123 -0.2302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5123 -2.5235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5123 -2.5235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1263 -0.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1263 -0.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8545 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8545 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5827 -0.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5827 -0.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5827 0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5827 0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8545 1.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8545 1.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1263 0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1263 0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9166 -2.5344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9166 -2.5344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.3620 1.2194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3620 1.2194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9502 -1.9937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9502 -1.9937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4845 -0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4845 -0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9166 0.5944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9166 0.5944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7701 2.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7701 2.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9025 1.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9025 1.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2139 1.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2139 1.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7105 0.7197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7105 0.7197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5517 1.5409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5517 1.5409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3463 1.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3463 1.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3994 2.5672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3994 2.5672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.2588 2.0109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2588 2.0109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0787 0.4355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0787 0.4355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5883 -2.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5883 -2.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8731 -1.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8731 -1.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3193 -0.8822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3193 -0.8822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3233 0.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3233 0.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.7971 -0.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7971 -0.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3764 -1.4255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3764 -1.4255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.2621 -2.7532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2621 -2.7532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9693 -2.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9693 -2.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.0240 -1.9801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0240 -1.9801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.3620 -0.9422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3620 -0.9422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3782 2.7532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3782 2.7532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4607 2.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4607 2.2234 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 8 1 0 0 0 0 | + | 20 8 1 0 0 0 0 |
− | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
− | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
− | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
− | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
− | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
− | 26 25 1 1 0 0 0 | + | 26 25 1 1 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 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
− | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
− | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
− | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
− | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
− | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
− | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
− | 35 34 1 1 0 0 0 | + | 35 34 1 1 0 0 0 |
− | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
− | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
− | 37 32 1 0 0 0 0 | + | 37 32 1 0 0 0 0 |
− | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
− | 33 39 1 0 0 0 0 | + | 33 39 1 0 0 0 0 |
− | 37 40 1 0 0 0 0 | + | 37 40 1 0 0 0 0 |
− | 35 21 1 0 0 0 0 | + | 35 21 1 0 0 0 0 |
− | 36 41 1 0 0 0 0 | + | 36 41 1 0 0 0 0 |
− | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
− | 28 42 1 0 0 0 0 | + | 28 42 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 47 | + | M SBL 1 1 47 |
− | M SMT 1 ^CH2OH | + | M SMT 1 ^CH2OH |
− | M SBV 1 47 0.0319 -1.0534 | + | M SBV 1 47 0.0319 -1.0534 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FFAGS0012 | + | ID FL5FFAGS0012 |
− | FORMULA C27H30O16 | + | FORMULA C27H30O16 |
− | EXACTMASS 610.153384912 | + | EXACTMASS 610.153384912 |
− | AVERAGEMASS 610.5175 | + | AVERAGEMASS 610.5175 |
− | SMILES C(C)(C5O)OC(C(C(O)5)O)Oc(c2)c(c(O3)c(C(=O)C(=C3c(c4)ccc(O)c4)O)c(O)2)OC(C(O)1)OC(CO)C(O)C(O)1 | + | SMILES C(C)(C5O)OC(C(C(O)5)O)Oc(c2)c(c(O3)c(C(=O)C(=C3c(c4)ccc(O)c4)O)c(O)2)OC(C(O)1)OC(CO)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/ 43 47 0 0 0 0 0 0 0 0999 V2000 -1.6310 -0.6427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6310 -1.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9166 -1.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2021 -1.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2021 -0.6427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9166 -0.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5123 -1.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2268 -1.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2268 -0.6427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5123 -0.2302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5123 -2.5235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1263 -0.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8545 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -0.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8545 1.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1263 0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9166 -2.5344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3620 1.2194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9502 -1.9937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4845 -0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9166 0.5944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7701 2.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9025 1.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2139 1.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7105 0.7197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5517 1.5409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3463 1.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3994 2.5672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2588 2.0109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0787 0.4355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5883 -2.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8731 -1.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3193 -0.8822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3233 0.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7971 -0.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3764 -1.4255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2621 -2.7532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9693 -2.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0240 -1.9801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3620 -0.9422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3782 2.7532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4607 2.2234 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 8 1 0 0 0 0 4 3 1 0 0 0 0 1 21 1 0 0 0 0 6 22 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 31 1 0 0 0 0 22 26 1 0 0 0 0 32 33 1 1 0 0 0 33 34 1 1 0 0 0 35 34 1 1 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 32 38 1 0 0 0 0 33 39 1 0 0 0 0 37 40 1 0 0 0 0 35 21 1 0 0 0 0 36 41 1 0 0 0 0 42 43 1 0 0 0 0 28 42 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 47 M SMT 1 ^CH2OH M SBV 1 47 0.0319 -1.0534 S SKP 5 ID FL5FFAGS0012 FORMULA C27H30O16 EXACTMASS 610.153384912 AVERAGEMASS 610.5175 SMILES C(C)(C5O)OC(C(C(O)5)O)Oc(c2)c(c(O3)c(C(=O)C(=C3c(c4)ccc(O)c4)O)c(O)2)OC(C(O)1)OC(CO)C(O)C(O)1 M END