Mol:FL5FFAGS0006
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
− | -1.4949 -0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4949 -0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4949 -1.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4949 -1.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9386 -1.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9386 -1.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3823 -1.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3823 -1.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3823 -0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3823 -0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9386 -0.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9386 -0.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1740 -1.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1740 -1.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7303 -1.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7303 -1.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7303 -0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7303 -0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1740 -0.4626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1740 -0.4626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1740 -2.2481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1740 -2.2481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2864 -0.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2864 -0.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8534 -0.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8534 -0.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4203 -0.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4203 -0.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4203 0.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4203 0.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8534 0.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8534 0.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2864 0.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2864 0.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0510 -0.4627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0510 -0.4627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1637 -1.8595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1637 -1.8595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9386 -2.3894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9386 -2.3894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9046 0.6089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9046 0.6089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2462 2.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2462 2.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5307 1.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5307 1.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9976 0.9855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9976 0.9855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6845 0.4565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6845 0.4565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5210 1.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5210 1.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0544 1.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0544 1.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7675 2.3894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7675 2.3894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9046 1.9938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9046 1.9938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3458 0.3630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3458 0.3630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9386 0.1795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9386 0.1795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8106 2.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8106 2.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0138 1.8245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0138 1.8245 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 |
− | 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 |
− | 21 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
− | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
− | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
− | 25 24 1 1 0 0 0 | + | 25 24 1 1 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 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 |
− | 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 |
− | 6 31 1 0 0 0 0 | + | 6 31 1 0 0 0 0 |
− | 31 25 1 0 0 0 0 | + | 31 25 1 0 0 0 0 |
− | 27 32 1 0 0 0 0 | + | 27 32 1 0 0 0 0 |
− | 32 33 1 0 0 0 0 | + | 32 33 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 32 33 | + | M SAL 1 2 32 33 |
− | M SBL 1 1 35 | + | M SBL 1 1 35 |
− | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
− | M SBV 1 35 -6.6096 3.5232 | + | M SBV 1 35 -6.6096 3.5232 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FFAGS0006 | + | ID FL5FFAGS0006 |
− | KNApSAcK_ID C00005341 | + | KNApSAcK_ID C00005341 |
− | NAME Herbacetin 8-glucoside | + | NAME Herbacetin 8-glucoside |
− | CAS_RN 11021-22-0 | + | CAS_RN 11021-22-0 |
− | FORMULA C21H20O12 | + | FORMULA C21H20O12 |
− | EXACTMASS 464.095476104 | + | EXACTMASS 464.095476104 |
− | AVERAGEMASS 464.37629999999996 | + | AVERAGEMASS 464.37629999999996 |
− | SMILES c(O)(c4)c(c(c(c4O)3)OC(=C(C3=O)O)c(c2)ccc(O)c2)OC(C(O)1)OC(CO)C(O)C1O | + | SMILES c(O)(c4)c(c(c(c4O)3)OC(=C(C3=O)O)c(c2)ccc(O)c2)OC(C(O)1)OC(CO)C(O)C1O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -1.4949 -0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4949 -1.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9386 -1.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3823 -1.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3823 -0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9386 -0.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 -1.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7303 -1.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7303 -0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 -0.4626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 -2.2481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2864 -0.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8534 -0.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4203 -0.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4203 0.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8534 0.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2864 0.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0510 -0.4627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1637 -1.8595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9386 -2.3894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9046 0.6089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2462 2.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5307 1.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9976 0.9855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6845 0.4565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5210 1.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0544 1.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7675 2.3894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9046 1.9938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3458 0.3630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9386 0.1795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8106 2.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0138 1.8245 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 1 18 1 0 0 0 0 8 19 1 0 0 0 0 3 20 1 0 0 0 0 21 15 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 6 31 1 0 0 0 0 31 25 1 0 0 0 0 27 32 1 0 0 0 0 32 33 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 32 33 M SBL 1 1 35 M SMT 1 CH2OH M SBV 1 35 -6.6096 3.5232 S SKP 8 ID FL5FFAGS0006 KNApSAcK_ID C00005341 NAME Herbacetin 8-glucoside CAS_RN 11021-22-0 FORMULA C21H20O12 EXACTMASS 464.095476104 AVERAGEMASS 464.37629999999996 SMILES c(O)(c4)c(c(c(c4O)3)OC(=C(C3=O)O)c(c2)ccc(O)c2)OC(C(O)1)OC(CO)C(O)C1O M END