Mol:FL5FAAGL0019
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 |
− | -4.3329 0.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3329 0.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.3329 -0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3329 -0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6319 -0.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6319 -0.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9309 -0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9309 -0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9309 0.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9309 0.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6319 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6319 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2298 -0.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2298 -0.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5287 -0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5287 -0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5287 0.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5287 0.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2298 1.1282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2298 1.1282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2298 -1.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2298 -1.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8281 1.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8281 1.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1136 0.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1136 0.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6009 1.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6009 1.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6009 1.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6009 1.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1136 2.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1136 2.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8281 1.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8281 1.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6319 -1.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6319 -1.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.0337 1.1280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0337 1.1280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3152 2.3654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3152 2.3654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6861 -0.7275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6861 -0.7275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8001 -0.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8001 -0.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0517 -1.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0517 -1.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0264 -1.2627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0264 -1.2627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8225 -1.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8225 -1.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5711 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5711 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5964 -1.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5964 -1.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0433 -0.4187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0433 -0.4187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3238 -0.7602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3238 -0.7602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1649 -1.5769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1649 -1.5769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7102 2.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7102 2.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9618 2.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9618 2.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9364 1.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9364 1.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7327 1.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7327 1.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.4811 2.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4811 2.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5065 2.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5065 2.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9515 2.7538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9515 2.7538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.2113 2.4729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2113 2.4729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.9805 1.6589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9805 1.6589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.3654 1.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3654 1.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.0337 0.4013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0337 0.4013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4855 -1.9574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4855 -1.9574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1538 -2.7538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1538 -2.7538 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 |
− | 3 4 1 0 0 0 0 | + | 3 4 1 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 |
− | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
− | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
− | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 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 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
− | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
− | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
− | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
− | 23 21 1 0 0 0 0 | + | 23 21 1 0 0 0 0 |
− | 31 32 1 0 0 0 0 | + | 31 32 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 31 1 0 0 0 0 | + | 36 31 1 0 0 0 0 |
− | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
− | 36 38 1 0 0 0 0 | + | 36 38 1 0 0 0 0 |
− | 35 39 1 0 0 0 0 | + | 35 39 1 0 0 0 0 |
− | 32 20 1 0 0 0 0 | + | 32 20 1 0 0 0 0 |
− | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
− | 34 40 1 0 0 0 0 | + | 34 40 1 0 0 0 0 |
− | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
− | 25 42 1 0 0 0 0 | + | 25 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 40 41 | + | M SAL 1 2 40 41 |
− | M SBL 1 1 45 | + | M SBL 1 1 45 |
− | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
− | M SBV 1 45 -0.6328 0.2019 | + | M SBV 1 45 -0.6328 0.2019 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 42 43 | + | M SAL 2 2 42 43 |
− | M SBL 2 1 47 | + | M SBL 2 1 47 |
− | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
− | M SBV 2 47 -0.6630 0.1192 | + | M SBV 2 47 -0.6630 0.1192 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FAAGL0019 | + | ID FL5FAAGL0019 |
− | FORMULA C27H30O16 | + | FORMULA C27H30O16 |
− | EXACTMASS 610.153384912 | + | EXACTMASS 610.153384912 |
− | AVERAGEMASS 610.5175 | + | AVERAGEMASS 610.5175 |
− | SMILES c(c1)(O3)c(C(C(=C(c(c4)ccc(OC(O5)C(O)C(O)C(O)C5CO)c4)3)OC(C(O)2)OC(C(C(O)2)O)CO)=O)c(O)cc(O)1 | + | SMILES c(c1)(O3)c(C(C(=C(c(c4)ccc(OC(O5)C(O)C(O)C(O)C5CO)c4)3)OC(C(O)2)OC(C(C(O)2)O)CO)=O)c(O)cc(O)1 |
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 -4.3329 0.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3329 -0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6319 -0.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9309 -0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9309 0.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6319 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2298 -0.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5287 -0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5287 0.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2298 1.1282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2298 -1.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8281 1.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1136 0.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6009 1.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6009 1.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1136 2.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8281 1.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6319 -1.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0337 1.1280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3152 2.3654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6861 -0.7275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8001 -0.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0517 -1.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0264 -1.2627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8225 -1.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5711 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5964 -1.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0433 -0.4187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3238 -0.7602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1649 -1.5769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7102 2.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9618 2.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9364 1.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7327 1.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4811 2.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5065 2.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9515 2.7538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2113 2.4729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9805 1.6589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3654 1.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0337 0.4013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4855 -1.9574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1538 -2.7538 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 3 4 1 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 1 19 1 0 0 0 0 15 20 1 0 0 0 0 8 21 1 0 0 0 0 22 23 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 22 1 0 0 0 0 22 28 1 0 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 23 21 1 0 0 0 0 31 32 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 31 1 0 0 0 0 31 37 1 0 0 0 0 36 38 1 0 0 0 0 35 39 1 0 0 0 0 32 20 1 0 0 0 0 40 41 1 0 0 0 0 34 40 1 0 0 0 0 42 43 1 0 0 0 0 25 42 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 40 41 M SBL 1 1 45 M SMT 1 CH2OH M SBV 1 45 -0.6328 0.2019 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 42 43 M SBL 2 1 47 M SMT 2 CH2OH M SBV 2 47 -0.6630 0.1192 S SKP 5 ID FL5FAAGL0019 FORMULA C27H30O16 EXACTMASS 610.153384912 AVERAGEMASS 610.5175 SMILES c(c1)(O3)c(C(C(=C(c(c4)ccc(OC(O5)C(O)C(O)C(O)C5CO)c4)3)OC(C(O)2)OC(C(C(O)2)O)CO)=O)c(O)cc(O)1 M END