| SpectraBase Compound ID | I58woO5CRHO |
|---|---|
| InChI | InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17+,18-,21+/m1/s1 |
| InChIKey | JPUKWEQWGBDDQB-DTGCRPNFSA-N |
| Mol Weight | 448.38 g/mol |
| Molecular Formula | C21H20O11 |
| Exact Mass | 448.100561 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6sOZDMjjsJ |
|---|---|
| Name | Trifolin |
| Alternate Name(s) | 5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one 5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one 3-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H20O11 |
| InChI | InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17+,18-,21+/m1/s1 |
| InChIKey | JPUKWEQWGBDDQB-DTGCRPNFSA-N |
| Molecular Weight | 448.380 g/mol |
| SMILES | Oc1ccc(C=2Oc3cc(cc(c3C(C2O[C@]2([C@@]([C@]([C@]([C@@](CO)(O2)[H])(O)[H])(O)[H])(O)[H])[H])=O)O)O)cc1 |
| SPLASH | splash10-000i-0090000000-3b67bc57359ea916f3f9 |
| Source of Spectrum | QA-38-395-D |
| Wiley ID | 861306 |