Mol:FL5FF8NN0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 41 45 0 0 0 0 0 0 0 0999 V2000 | + | 41 45 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4303 -1.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4303 -1.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4303 -1.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4303 -1.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8740 -2.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8740 -2.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3177 -1.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3177 -1.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3177 -1.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3177 -1.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8740 -0.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8740 -0.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2386 -2.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2386 -2.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7949 -1.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7949 -1.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7949 -1.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7949 -1.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2386 -0.7784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2386 -0.7784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2386 -2.5640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2386 -2.5640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3510 -0.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3510 -0.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9180 -1.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9180 -1.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4850 -0.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4850 -0.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4850 -0.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4850 -0.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9180 0.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9180 0.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3510 -0.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3510 -0.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0518 -1.1058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0518 -1.1058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8740 -0.1494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8740 -0.1494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4187 0.1650 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -1.4187 0.1650 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -1.9634 -0.1494 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.9634 -0.1494 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.9634 -0.7784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9634 -0.7784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4187 0.7588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4187 0.7588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8767 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8767 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8767 1.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8767 1.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4187 2.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4187 2.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9607 1.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9607 1.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9607 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9607 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5076 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5076 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0518 -0.1494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0518 -0.1494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4187 2.6362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4187 2.6362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6609 -2.2420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6609 -2.2420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5269 -2.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5269 -2.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6609 -0.3087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6609 -0.3087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9198 0.6572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9198 0.6572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3349 2.0104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3349 2.0104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3796 1.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3796 1.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3104 -2.2237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3104 -2.2237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5960 -2.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5960 -2.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0630 1.4137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0630 1.4137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7701 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7701 2.1208 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 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 1 1 0 0 0 0 | + | 22 1 1 0 0 0 0 |
| − | 20 23 1 6 0 0 0 | + | 20 23 1 6 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 21 29 1 1 0 0 0 | + | 21 29 1 1 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 26 31 1 0 0 0 0 | + | 26 31 1 0 0 0 0 |
| − | 8 32 1 0 0 0 0 | + | 8 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 17 34 1 0 0 0 0 | + | 17 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 25 36 1 0 0 0 0 | + | 25 36 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 3 38 1 0 0 0 0 | + | 3 38 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 24 40 1 0 0 0 0 | + | 24 40 1 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | M STY 1 6 SUP | + | M STY 1 6 SUP |
| − | M SLB 1 6 6 | + | M SLB 1 6 6 |
| − | M SAL 6 2 29 30 | + | M SAL 6 2 29 30 |
| − | M SBL 6 1 33 | + | M SBL 6 1 33 |
| − | M SMT 6 CH2OH | + | M SMT 6 CH2OH |
| − | M SVB 6 33 -2.5076 0.1647 | + | M SVB 6 33 -2.5076 0.1647 |
| − | M STY 1 5 SUP | + | M STY 1 5 SUP |
| − | M SLB 1 5 5 | + | M SLB 1 5 5 |
| − | M SAL 5 2 40 41 | + | M SAL 5 2 40 41 |
| − | M SBL 5 1 44 | + | M SBL 5 1 44 |
| − | M SMT 5 OCH3 | + | M SMT 5 OCH3 |
| − | M SVB 5 44 -0.6921 0.8655 | + | M SVB 5 44 -0.6921 0.8655 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 38 39 | + | M SAL 4 2 38 39 |
| − | M SBL 4 1 42 | + | M SBL 4 1 42 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 42 -1.3104 -2.2237 | + | M SVB 4 42 -1.3104 -2.2237 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 36 37 | + | M SAL 3 2 36 37 |
| − | M SBL 3 1 40 | + | M SBL 3 1 40 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 40 -0.3349 2.0104 | + | M SVB 3 40 -0.3349 2.0104 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 34 35 | + | M SAL 2 2 34 35 |
| − | M SBL 2 1 38 | + | M SBL 2 1 38 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 38 0.9938 0.4949 | + | M SVB 2 38 0.9938 0.4949 |
| − | 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 36 | + | M SBL 1 1 36 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 36 1.0052 -1.9269 | + | M SVB 1 36 1.0052 -1.9269 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FF8NN0001 | + | ID FL5FF8NN0001 |
| − | KNApSAcK_ID C00005038 | + | KNApSAcK_ID C00005038 |
| − | NAME 6,8-Dimethoxy-2,3-trans-2-(4-hydroxy-2,3-dimethoxyphenyl)-9-(5-hydroxy-2-methoxyphenyl)-3-hydroxymethyl-2,3-dihydro-7H-1,4-dioxono[2,3-h]chromene-7-one | + | NAME 6,8-Dimethoxy-2,3-trans-2-(4-hydroxy-2,3-dimethoxyphenyl)-9-(5-hydroxy-2-methoxyphenyl)-3-hydroxymethyl-2,3-dihydro-7H-1,4-dioxono[2,3-h]chromene-7-one |
| − | CAS_RN 162663-69-6 | + | CAS_RN 162663-69-6 |
| − | FORMULA C29H28O12 | + | FORMULA C29H28O12 |
| − | EXACTMASS 568.15807636 | + | EXACTMASS 568.15807636 |
| − | AVERAGEMASS 568.5254199999999 | + | AVERAGEMASS 568.5254199999999 |
| − | SMILES C(OC)(=C(c(c5OC)cc(O)cc5)1)C(=O)c(c(OC)4)c(c(c(c4)3)O[C@H]([C@H](CO)O3)c(c2)c(c(OC)c(c2)O)OC)O1 | + | SMILES C(OC)(=C(c(c5OC)cc(O)cc5)1)C(=O)c(c(OC)4)c(c(c(c4)3)O[C@H]([C@H](CO)O3)c(c2)c(c(OC)c(c2)O)OC)O1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
41 45 0 0 0 0 0 0 0 0999 V2000
-1.4303 -1.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4303 -1.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8740 -2.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3177 -1.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3177 -1.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8740 -0.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2386 -2.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7949 -1.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7949 -1.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2386 -0.7784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2386 -2.5640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3510 -0.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9180 -1.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4850 -0.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4850 -0.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9180 0.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3510 -0.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0518 -1.1058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8740 -0.1494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4187 0.1650 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.9634 -0.1494 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9634 -0.7784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4187 0.7588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8767 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8767 1.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4187 2.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9607 1.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9607 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5076 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0518 -0.1494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4187 2.6362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6609 -2.2420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5269 -2.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6609 -0.3087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9198 0.6572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3349 2.0104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3796 1.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3104 -2.2237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5960 -2.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0630 1.4137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7701 2.1208 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
14 18 1 0 0 0 0
6 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 1 1 0 0 0 0
20 23 1 6 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 23 1 0 0 0 0
21 29 1 1 0 0 0
29 30 1 0 0 0 0
26 31 1 0 0 0 0
8 32 1 0 0 0 0
32 33 1 0 0 0 0
17 34 1 0 0 0 0
34 35 1 0 0 0 0
25 36 1 0 0 0 0
36 37 1 0 0 0 0
3 38 1 0 0 0 0
38 39 1 0 0 0 0
24 40 1 0 0 0 0
40 41 1 0 0 0 0
M STY 1 6 SUP
M SLB 1 6 6
M SAL 6 2 29 30
M SBL 6 1 33
M SMT 6 CH2OH
M SVB 6 33 -2.5076 0.1647
M STY 1 5 SUP
M SLB 1 5 5
M SAL 5 2 40 41
M SBL 5 1 44
M SMT 5 OCH3
M SVB 5 44 -0.6921 0.8655
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 38 39
M SBL 4 1 42
M SMT 4 OCH3
M SVB 4 42 -1.3104 -2.2237
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 36 37
M SBL 3 1 40
M SMT 3 OCH3
M SVB 3 40 -0.3349 2.0104
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 34 35
M SBL 2 1 38
M SMT 2 OCH3
M SVB 2 38 0.9938 0.4949
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 36
M SMT 1 OCH3
M SVB 1 36 1.0052 -1.9269
S SKP 8
ID FL5FF8NN0001
KNApSAcK_ID C00005038
NAME 6,8-Dimethoxy-2,3-trans-2-(4-hydroxy-2,3-dimethoxyphenyl)-9-(5-hydroxy-2-methoxyphenyl)-3-hydroxymethyl-2,3-dihydro-7H-1,4-dioxono[2,3-h]chromene-7-one
CAS_RN 162663-69-6
FORMULA C29H28O12
EXACTMASS 568.15807636
AVERAGEMASS 568.5254199999999
SMILES C(OC)(=C(c(c5OC)cc(O)cc5)1)C(=O)c(c(OC)4)c(c(c(c4)3)O[C@H]([C@H](CO)O3)c(c2)c(c(OC)c(c2)O)OC)O1
M END
