Mol:FL5FABGL0003
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 |
− | -2.1281 -0.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1281 -0.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1281 -1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1281 -1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4136 -1.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4136 -1.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6991 -1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6991 -1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6991 -0.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6991 -0.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4136 -0.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4136 -0.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0153 -1.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0153 -1.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7298 -1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7298 -1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7298 -0.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7298 -0.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0153 -0.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0153 -0.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0153 -2.4140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0153 -2.4140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4440 -0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4440 -0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1722 -0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1722 -0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9003 -0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9003 -0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9003 0.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9003 0.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1722 1.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1722 1.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4440 0.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4440 0.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8423 -0.1210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8423 -0.1210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4528 -1.7720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4528 -1.7720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4136 -2.5955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4136 -2.5955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.4523 0.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4523 0.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6455 -0.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6455 -0.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.9015 0.6532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9015 0.6532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6455 1.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6455 1.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.4523 2.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4523 2.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.1964 1.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1964 1.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.1218 2.5955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1218 2.5955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6455 2.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6455 2.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.8589 1.6682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8589 1.6682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.1119 0.2249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1119 0.2249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3674 -1.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3674 -1.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9811 -1.9084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9811 -1.9084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7241 -1.6960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7241 -1.6960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4715 -1.9084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4715 -1.9084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8580 -1.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8580 -1.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1149 -1.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1149 -1.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7337 -1.3297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7337 -1.3297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7316 -0.9231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7316 -0.9231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.4786 -1.3974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4786 -1.3974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.1943 -1.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1943 -1.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.1119 -2.3639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1119 -2.3639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7145 1.1899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7145 1.1899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.6320 0.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6320 0.6601 0.0000 C 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 |
− | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
− | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
− | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
− | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
− | 26 21 1 1 0 0 0 | + | 26 21 1 1 0 0 0 |
− | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
− | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
− | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
− | 21 30 1 0 0 0 0 | + | 21 30 1 0 0 0 0 |
− | 22 18 1 0 0 0 0 | + | 22 18 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 19 1 0 0 0 0 | + | 32 19 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 |
− | 15 42 1 0 0 0 0 | + | 15 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 -0.7227 -0.0743 | + | M SBV 1 45 -0.7227 -0.0743 |
− | 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 OCH3 | + | M SMT 2 OCH3 |
− | M SBV 2 47 -0.8143 -0.4701 | + | M SBV 2 47 -0.8143 -0.4701 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FABGL0003 | + | ID FL5FABGL0003 |
− | FORMULA C28H32O15 | + | FORMULA C28H32O15 |
− | EXACTMASS 608.174120354 | + | EXACTMASS 608.174120354 |
− | AVERAGEMASS 608.54468 | + | AVERAGEMASS 608.54468 |
− | SMILES OC(C1Oc(c5)cc(c(c35)C(C(OC(O4)C(C(O)C(C4CO)O)O)=C(O3)c(c2)ccc(c2)OC)=O)O)C(C(C(O1)C)O)O | + | SMILES OC(C1Oc(c5)cc(c(c35)C(C(OC(O4)C(C(O)C(C4CO)O)O)=C(O3)c(c2)ccc(c2)OC)=O)O)C(C(C(O1)C)O)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 -2.1281 -0.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1281 -1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4136 -1.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6991 -1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6991 -0.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4136 -0.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0153 -1.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7298 -1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7298 -0.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0153 -0.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0153 -2.4140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4440 -0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1722 -0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9003 -0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9003 0.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1722 1.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4440 0.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8423 -0.1210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4528 -1.7720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4136 -2.5955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4523 0.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6455 -0.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9015 0.6532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6455 1.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4523 2.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1964 1.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1218 2.5955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6455 2.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8589 1.6682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1119 0.2249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3674 -1.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9811 -1.9084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7241 -1.6960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4715 -1.9084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8580 -1.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1149 -1.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7337 -1.3297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7316 -0.9231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4786 -1.3974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1943 -1.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1119 -2.3639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7145 1.1899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6320 0.6601 0.0000 C 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 1 18 1 0 0 0 0 8 19 1 0 0 0 0 3 20 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 26 21 1 1 0 0 0 25 27 1 0 0 0 0 24 28 1 0 0 0 0 26 29 1 0 0 0 0 21 30 1 0 0 0 0 22 18 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 19 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 15 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 -0.7227 -0.0743 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 42 43 M SBL 2 1 47 M SMT 2 OCH3 M SBV 2 47 -0.8143 -0.4701 S SKP 5 ID FL5FABGL0003 FORMULA C28H32O15 EXACTMASS 608.174120354 AVERAGEMASS 608.54468 SMILES OC(C1Oc(c5)cc(c(c35)C(C(OC(O4)C(C(O)C(C4CO)O)O)=C(O3)c(c2)ccc(c2)OC)=O)O)C(C(C(O1)C)O)O M END