Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-11 18:46:00 UTC |
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Update Date | 2022-03-07 02:53:56 UTC |
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HMDB ID | HMDB0033991 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Daidzin |
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Description | Daidzin, also known as daidzoside, belongs to the class of organic compounds known as isoflavonoid o-glycosides. These are o-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one. Thus, daidzin is considered to be a flavonoid. Daidzin is a bitter tasting compound. Daidzin is found, on average, in the highest concentration within a few different foods, such as soy beans (Glycine max), yogurt, and soy yogurt and in a lower concentration in other soy product, soy milk, and miso. Daidzin has also been detected, but not quantified in, several different foods, such as black radishes (Raphanus sativus var. niger), allspices (Pimenta dioica), olives (Olea europaea), teas (Camellia sinensis), and radish (var.). This could make daidzin a potential biomarker for the consumption of these foods. Daidzin is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a significant number of articles have been published on Daidzin. |
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Structure | OC[C@H]1O[C@@H](OC2=CC3=C(C=C2)C(=O)C(=CO3)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1 |
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Synonyms | Value | Source |
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Daidzein 7-glucoside | ChEBI | Daidzein 7-O-glucoside | ChEBI | Daidzoside | ChEBI | 7-O-Glucosyl-4'-hydroxyisoflavone | MeSH | 4',7-Dihydroxyisoflavone 7-O-b-D-glucopyranoside | HMDB | Daidzein 7-O-beta-D-glucopyranoside | HMDB | Daidzein 7-O-beta-D-glucoside | HMDB | DZN | HMDB | Daidzin | ChEBI | Daidzein 7-O-b-D-glucoside | Generator, HMDB | Daidzein 7-O-β-D-glucoside | Generator, HMDB |
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Chemical Formula | C21H20O9 |
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Average Molecular Weight | 416.382 |
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Monoisotopic Molecular Weight | 416.110732224 |
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IUPAC Name | 3-(4-hydroxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one |
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Traditional Name | daidzin |
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CAS Registry Number | 552-66-9 |
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SMILES | OC[C@H]1O[C@@H](OC2=CC3=C(C=C2)C(=O)C(=CO3)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O |
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InChI Identifier | InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1 |
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InChI Key | KYQZWONCHDNPDP-QNDFHXLGSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as isoflavonoid o-glycosides. These are o-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one. |
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Kingdom | Organic compounds |
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Super Class | Phenylpropanoids and polyketides |
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Class | Isoflavonoids |
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Sub Class | Isoflavonoid O-glycosides |
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Direct Parent | Isoflavonoid O-glycosides |
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Alternative Parents | |
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Substituents | - Isoflavonoid o-glycoside
- Isoflavonoid-7-o-glycoside
- Isoflavone
- Phenolic glycoside
- Hexose monosaccharide
- Chromone
- Glycosyl compound
- O-glycosyl compound
- Benzopyran
- 1-benzopyran
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Pyranone
- Pyran
- Monocyclic benzene moiety
- Oxane
- Benzenoid
- Monosaccharide
- Heteroaromatic compound
- Secondary alcohol
- Polyol
- Acetal
- Oxacycle
- Organoheterocyclic compound
- Organic oxide
- Organic oxygen compound
- Primary alcohol
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | |
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Ontology |
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Physiological effect | |
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Disposition | |
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Process | Not Available |
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Role | |
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Physical Properties |
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State | Solid |
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Experimental Molecular Properties | |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | | Show more...
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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Daidzin,1TMS,isomer #1 | C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O | 3967.3 | Semi standard non polar | 33892256 | Daidzin,1TMS,isomer #2 | C[Si](C)(C)OC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=CC=C3C2=O)C=C1 | 3992.5 | Semi standard non polar | 33892256 | Daidzin,1TMS,isomer #3 | C[Si](C)(C)O[C@H]1[C@H](OC2=CC=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)O[C@H](CO)[C@@H](O)[C@@H]1O | 3987.8 | Semi standard non polar | 33892256 | Daidzin,1TMS,isomer #4 | C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)O[C@H](CO)[C@H]1O | 3975.2 | Semi standard non polar | 33892256 | Daidzin,1TMS,isomer #5 | C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O)[C@H]1O | 3961.8 | Semi standard non polar | 33892256 | Daidzin,2TMS,isomer #1 | C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O | 3859.4 | Semi standard non polar | 33892256 | Daidzin,2TMS,isomer #10 | C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O)[C@H]1O[Si](C)(C)C | 3833.1 | Semi standard non polar | 33892256 | Daidzin,2TMS,isomer #2 | C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O | 3843.0 | Semi standard non polar | 33892256 | Daidzin,2TMS,isomer #3 | C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O | 3828.4 | Semi standard non polar | 33892256 | Daidzin,2TMS,isomer #4 | C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C | 3856.2 | Semi standard non polar | 33892256 | Daidzin,2TMS,isomer #5 | C[Si](C)(C)OC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC=C3C2=O)C=C1 | 3860.0 | Semi standard non polar | 33892256 | Daidzin,2TMS,isomer #6 | C[Si](C)(C)OC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C3C2=O)C=C1 | 3877.4 | Semi standard non polar | 33892256 | Daidzin,2TMS,isomer #7 | C[Si](C)(C)OC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC=C3C2=O)C=C1 | 3874.4 | Semi standard non polar | 33892256 | Daidzin,2TMS,isomer #8 | C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OC2=CC=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)O[C@@H]1CO | 3836.9 | Semi standard non polar | 33892256 | Daidzin,2TMS,isomer #9 | C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)O[C@H](CO)[C@H]1O | 3865.0 | Semi standard non polar | 33892256 | Daidzin,3TMS,isomer #1 | C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O | 3791.6 | Semi standard non polar | 33892256 | Daidzin,3TMS,isomer #10 | C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)O[C@H](CO)[C@H]1O[Si](C)(C)C | 3787.7 | Semi standard non polar | 33892256 | Daidzin,3TMS,isomer #2 | C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4)=COC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O | 3785.2 | Semi standard non polar | 33892256 | Daidzin,3TMS,isomer #3 | C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C | 3796.4 | Semi standard non polar | 33892256 | Daidzin,3TMS,isomer #4 | C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O | 3780.9 | Semi standard non polar | 33892256 | Daidzin,3TMS,isomer #5 | C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C | 3783.4 | Semi standard non polar | 33892256 | Daidzin,3TMS,isomer #6 | C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C | 3781.8 | Semi standard non polar | 33892256 | Daidzin,3TMS,isomer #7 | C[Si](C)(C)OC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C3C2=O)C=C1 | 3795.1 | Semi standard non polar | 33892256 | Daidzin,3TMS,isomer #8 | C[Si](C)(C)OC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=CC=C3C2=O)C=C1 | 3800.8 | Semi standard non polar | 33892256 | Daidzin,3TMS,isomer #9 | C[Si](C)(C)OC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=CC=C3C2=O)C=C1 | 3814.8 | Semi standard non polar | 33892256 | Daidzin,4TMS,isomer #1 | C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O | 3772.8 | Semi standard non polar | 33892256 | Daidzin,4TMS,isomer #2 | C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C | 3773.4 | Semi standard non polar | 33892256 | Daidzin,4TMS,isomer #3 | C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4)=COC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C | 3778.2 | Semi standard non polar | 33892256 | Daidzin,4TMS,isomer #4 | C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C | 3783.4 | Semi standard non polar | 33892256 | Daidzin,4TMS,isomer #5 | C[Si](C)(C)OC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=CC=C3C2=O)C=C1 | 3800.6 | Semi standard non polar | 33892256 | Daidzin,5TMS,isomer #1 | C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C | 3804.1 | Semi standard non polar | 33892256 | Daidzin,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O | 4233.6 | Semi standard non polar | 33892256 | Daidzin,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=CC=C3C2=O)C=C1 | 4238.1 | Semi standard non polar | 33892256 | Daidzin,1TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OC2=CC=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)O[C@H](CO)[C@@H](O)[C@@H]1O | 4240.2 | Semi standard non polar | 33892256 | Daidzin,1TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)O[C@H](CO)[C@H]1O | 4218.1 | Semi standard non polar | 33892256 | Daidzin,1TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O)[C@H]1O | 4217.5 | Semi standard non polar | 33892256 | Daidzin,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O | 4417.7 | Semi standard non polar | 33892256 | Daidzin,2TBDMS,isomer #10 | CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C | 4331.4 | Semi standard non polar | 33892256 | Daidzin,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O | 4375.4 | Semi standard non polar | 33892256 | Daidzin,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O | 4345.9 | Semi standard non polar | 33892256 | Daidzin,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C | 4379.8 | Semi standard non polar | 33892256 | Daidzin,2TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)=CC=C3C2=O)C=C1 | 4407.1 | Semi standard non polar | 33892256 | Daidzin,2TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=CC=C3C2=O)C=C1 | 4423.6 | Semi standard non polar | 33892256 | Daidzin,2TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=CC=C3C2=O)C=C1 | 4416.1 | Semi standard non polar | 33892256 | Daidzin,2TBDMS,isomer #8 | CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC2=CC=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)O[C@@H]1CO | 4335.4 | Semi standard non polar | 33892256 | Daidzin,2TBDMS,isomer #9 | CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC2=CC=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)O[C@H](CO)[C@H]1O | 4362.2 | Semi standard non polar | 33892256 | Daidzin,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O | 4578.7 | Semi standard non polar | 33892256 | Daidzin,3TBDMS,isomer #10 | CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC2=CC=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)O[C@H](CO)[C@H]1O[Si](C)(C)C(C)(C)C | 4489.5 | Semi standard non polar | 33892256 | Daidzin,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)=COC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O | 4567.7 | Semi standard non polar | 33892256 | Daidzin,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C | 4578.6 | Semi standard non polar | 33892256 | Daidzin,3TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O | 4486.5 | Semi standard non polar | 33892256 | Daidzin,3TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C | 4509.8 | Semi standard non polar | 33892256 | Daidzin,3TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C | 4488.9 | Semi standard non polar | 33892256 | Daidzin,3TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=CC=C3C2=O)C=C1 | 4566.1 | Semi standard non polar | 33892256 | Daidzin,3TBDMS,isomer #8 | CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=CC=C3C2=O)C=C1 | 4582.3 | Semi standard non polar | 33892256 | Daidzin,3TBDMS,isomer #9 | CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O[Si](C)(C)C(C)(C)C)=CC=C3C2=O)C=C1 | 4588.9 | Semi standard non polar | 33892256 | Daidzin,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O | 4682.2 | Semi standard non polar | 33892256 | Daidzin,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C | 4707.3 | Semi standard non polar | 33892256 | Daidzin,4TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)=COC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C | 4686.7 | Semi standard non polar | 33892256 | Daidzin,4TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C | 4646.5 | Semi standard non polar | 33892256 | Daidzin,4TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O[Si](C)(C)C(C)(C)C)=CC=C3C2=O)C=C1 | 4682.1 | Semi standard non polar | 33892256 |
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Spectra |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - Daidzin GC-MS (Non-derivatized) - 70eV, Positive | splash10-0f72-5619000000-9a00dd3afb417b948c0d | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Daidzin GC-MS (3 TMS) - 70eV, Positive | splash10-014i-3614129000-e673b080216b7c841658 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Daidzin GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Experimental LC-MS/MS | LC-MS/MS Spectrum - Daidzin ESI-TOF 30V, Negative-QTOF | splash10-03di-0000092000-84a513c4afef1602030f | 2017-08-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Daidzin ESI-TOF 50V, Negative-QTOF | splash10-03di-0000092000-84a513c4afef1602030f | 2017-08-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Daidzin ESI-TOF , Negative-QTOF | splash10-03di-0000900000-a8a90b48831795fcef5b | 2017-08-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Daidzin ESI-TOF 20V, Negative-QTOF | splash10-03di-0000900000-a8a90b48831795fcef5b | 2017-08-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Daidzin ESI-TOF 10V, Negative-QTOF | splash10-0w29-0090800000-71336b3ac56112e89965 | 2017-08-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Daidzin ESI-TOF 40V, Negative-QTOF | splash10-0w29-0090800000-71336b3ac56112e89965 | 2017-08-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Daidzin ESI-TOF 30V, Negative-QTOF | splash10-0udi-0090100000-a3ff46535f112a06438e | 2017-09-12 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Daidzin ESI-TOF 50V, Negative-QTOF | splash10-0udi-0090000000-806672a9fe6ab0e8821b | 2017-09-12 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Daidzin ESI-TOF , Negative-QTOF | splash10-03di-0000900000-a8a90b48831795fcef5b | 2017-09-12 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Daidzin ESI-TOF 20V, Negative-QTOF | splash10-0udi-0090300000-0e1086947a1b1fb0fc9c | 2017-09-12 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Daidzin ESI-TOF 10V, Negative-QTOF | splash10-0w29-0090800000-71336b3ac56112e89965 | 2017-09-12 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Daidzin ESI-TOF 40V, Negative-QTOF | splash10-0udi-0090000000-3c95cabcacf790fe32be | 2017-09-12 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Daidzin LC-ESI-QTOF , negative-QTOF | splash10-0uxr-0190300000-7c009a9b8fd016988c20 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Daidzin LC-ESI-QTOF , negative-QTOF | splash10-0udi-0090300000-87d938e172f23b8f9266 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Daidzin LC-ESI-QTOF , negative-QTOF | splash10-0udi-0090101010-00cce9f1d03944bfc839 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Daidzin LC-ESI-QTOF , negative-QTOF | splash10-0udi-0090000000-f372e3204e88dfa0fac6 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Daidzin LC-ESI-QTOF , negative-QTOF | splash10-0089-2970000000-19bb9d5854402bda7386 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Daidzin LC-ESI-QTOF , negative-QTOF | splash10-0udi-0190200000-21f48ac2697d0d52ecd2 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Daidzin Linear Ion Trap , negative-QTOF | splash10-0udi-0090000000-65cde820e99b7330181c | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Daidzin Linear Ion Trap , negative-QTOF | splash10-0udi-0090000000-02d2e6531c1f5306a982 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Daidzin Linear Ion Trap , negative-QTOF | splash10-0udi-0090005000-e1a64aa9987c014a3479 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Daidzin Linear Ion Trap , negative-QTOF | splash10-0udi-0090005100-ebd792ec79716bac22ca | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Daidzin 10V, Negative-QTOF | splash10-014i-0020900000-903830e8fc3941dbcc84 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Daidzin 20V, Negative-QTOF | splash10-0uxr-0291700000-1e92e4b123fc0c2fb01c | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Daidzin 40V, Negative-QTOF | splash10-0udi-0290000000-9b77f7d15a867f015dcc | 2021-09-20 | HMDB team, MONA | View Spectrum |
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Biological Properties |
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Cellular Locations | |
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Biospecimen Locations | Not Available |
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Tissue Locations | Not Available |
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Pathways | |
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Normal Concentrations |
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| Not Available |
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Abnormal Concentrations |
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| Not Available |
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Associated Disorders and Diseases |
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Disease References | None |
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Associated OMIM IDs | None |
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External Links |
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DrugBank ID | DB02115 |
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Phenol Explorer Compound ID | 403 |
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FooDB ID | FDB012225 |
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KNApSAcK ID | C00002518 |
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Chemspider ID | 97088 |
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KEGG Compound ID | C10216 |
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BioCyc ID | CPD-3424 |
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BiGG ID | Not Available |
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Wikipedia Link | Daidzin |
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METLIN ID | Not Available |
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PubChem Compound | 107971 |
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PDB ID | DZN |
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ChEBI ID | 42202 |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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MarkerDB ID | Not Available |
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Good Scents ID | rw1665341 |
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References |
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Synthesis Reference | Not Available |
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Material Safety Data Sheet (MSDS) | Not Available |
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General References | - Kato K, Takahashi S, Cui L, Toda T, Suzuki S, Futakuchi M, Sugiura S, Shirai T: Suppressive effects of dietary genistin and daidzin on rat prostate carcinogenesis. Jpn J Cancer Res. 2000 Aug;91(8):786-91. [PubMed:10965018 ]
- Choo MK, Park EK, Yoon HK, Kim DH: Antithrombotic and antiallergic activities of daidzein, a metabolite of puerarin and daidzin produced by human intestinal microflora. Biol Pharm Bull. 2002 Oct;25(10):1328-32. [PubMed:12392089 ]
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
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