Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-12 03:39:39 UTC |
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Update Date | 2022-03-07 02:57:11 UTC |
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HMDB ID | HMDB0041740 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Glycitein 4'-O-glucuronide |
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Description | Glycitein 4'-O-glucuronide belongs to the class of organic compounds known as flavonoid o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid. Based on a literature review very few articles have been published on Glycitein 4'-O-glucuronide. |
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Structure | COC1=C(O)C=C2OC=C(C3=CC=C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C=C3)C(=O)C2=C1 InChI=1S/C22H20O11/c1-30-15-6-11-14(7-13(15)23)31-8-12(16(11)24)9-2-4-10(5-3-9)32-22-19(27)17(25)18(26)20(33-22)21(28)29/h2-8,17-20,22-23,25-27H,1H3,(H,28,29)/t17-,18-,19+,20-,22+/m0/s1 |
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Synonyms | Value | Source |
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Glycitein 4'-O-beta-D-glucuronide | ChEBI | Glycitein 4'-O-beta-glucuronide | ChEBI | Glycitein 4'-O-b-D-glucuronide | Generator | Glycitein 4'-O-β-D-glucuronide | Generator | Glycitein 4'-O-b-glucuronide | Generator | Glycitein 4'-O-β-glucuronide | Generator |
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Chemical Formula | C22H20O11 |
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Average Molecular Weight | 460.3876 |
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Monoisotopic Molecular Weight | 460.100561482 |
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IUPAC Name | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(7-hydroxy-6-methoxy-4-oxo-4H-chromen-3-yl)phenoxy]oxane-2-carboxylic acid |
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Traditional Name | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(7-hydroxy-6-methoxy-4-oxochromen-3-yl)phenoxy]oxane-2-carboxylic acid |
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CAS Registry Number | Not Available |
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SMILES | COC1=C(O)C=C2OC=C(C3=CC=C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C=C3)C(=O)C2=C1 |
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InChI Identifier | InChI=1S/C22H20O11/c1-30-15-6-11-14(7-13(15)23)31-8-12(16(11)24)9-2-4-10(5-3-9)32-22-19(27)17(25)18(26)20(33-22)21(28)29/h2-8,17-20,22-23,25-27H,1H3,(H,28,29)/t17-,18-,19+,20-,22+/m0/s1 |
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InChI Key | FXGSRMKCZRQRER-SXFAUFNYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as flavonoid o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid. |
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Kingdom | Organic compounds |
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Super Class | Phenylpropanoids and polyketides |
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Class | Flavonoids |
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Sub Class | Flavonoid glycosides |
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Direct Parent | Flavonoid O-glucuronides |
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Alternative Parents | |
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Substituents | - Flavonoid-3p-o-glucuronide
- 4p-methoxyflavonoid-skeleton
- Hydroxyflavonoid
- Flavanone
- 5-hydroxyflavonoid
- 7-hydroxyflavonoid
- Flavan
- Phenolic glycoside
- O-glucuronide
- 1-o-glucuronide
- Glucuronic acid or derivatives
- Hexose monosaccharide
- Chromone
- O-glycosyl compound
- Glycosyl compound
- Benzopyran
- 1-benzopyran
- Chromane
- Phenoxy compound
- Methoxybenzene
- Anisole
- Aryl alkyl ketone
- Aryl ketone
- Phenol ether
- Alkyl aryl ether
- 1-hydroxy-2-unsubstituted benzenoid
- 1-hydroxy-4-unsubstituted benzenoid
- Beta-hydroxy acid
- Monosaccharide
- Hydroxy acid
- Benzenoid
- Pyran
- Monocyclic benzene moiety
- Oxane
- Vinylogous acid
- Ketone
- Secondary alcohol
- Acetal
- Oxacycle
- Organoheterocyclic compound
- Polyol
- Monocarboxylic acid or derivatives
- Ether
- Carboxylic acid derivative
- Carboxylic acid
- Organic oxygen compound
- Organooxygen compound
- Alcohol
- Organic oxide
- Carbonyl group
- Hydrocarbon derivative
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Physiological effect | Not Available |
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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 | Not Available |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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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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Glycitein 4'-O-glucuronide,1TMS,isomer #1 | COC1=CC2=C(C=C1O[Si](C)(C)C)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C=C1)C2=O | 4133.3 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,1TMS,isomer #2 | COC1=CC2=C(C=C1O)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C=C1)C2=O | 4101.6 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,1TMS,isomer #3 | COC1=CC2=C(C=C1O)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C=C1)C2=O | 4097.8 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,1TMS,isomer #4 | COC1=CC2=C(C=C1O)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C=C1)C2=O | 4101.5 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,1TMS,isomer #5 | COC1=CC2=C(C=C1O)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C=C1)C2=O | 4125.7 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,2TMS,isomer #1 | COC1=CC2=C(C=C1O[Si](C)(C)C)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C=C1)C2=O | 4034.4 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,2TMS,isomer #10 | COC1=CC2=C(C=C1O)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C=C1)C2=O | 4007.8 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,2TMS,isomer #2 | COC1=CC2=C(C=C1O[Si](C)(C)C)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C=C1)C2=O | 4018.4 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,2TMS,isomer #3 | COC1=CC2=C(C=C1O[Si](C)(C)C)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C=C1)C2=O | 4000.9 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,2TMS,isomer #4 | COC1=CC2=C(C=C1O[Si](C)(C)C)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C=C1)C2=O | 4014.3 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,2TMS,isomer #5 | COC1=CC2=C(C=C1O)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C=C1)C2=O | 4014.1 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,2TMS,isomer #6 | COC1=CC2=C(C=C1O)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C=C1)C2=O | 3969.0 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,2TMS,isomer #7 | COC1=CC2=C(C=C1O)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C=C1)C2=O | 3983.8 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,2TMS,isomer #8 | COC1=CC2=C(C=C1O)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C=C1)C2=O | 3992.3 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,2TMS,isomer #9 | COC1=CC2=C(C=C1O)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C=C1)C2=O | 3959.2 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,3TMS,isomer #1 | COC1=CC2=C(C=C1O[Si](C)(C)C)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C=C1)C2=O | 3985.6 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,3TMS,isomer #10 | COC1=CC2=C(C=C1O)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C=C1)C2=O | 3943.9 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,3TMS,isomer #2 | COC1=CC2=C(C=C1O[Si](C)(C)C)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C=C1)C2=O | 3951.8 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,3TMS,isomer #3 | COC1=CC2=C(C=C1O[Si](C)(C)C)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C=C1)C2=O | 3982.6 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,3TMS,isomer #4 | COC1=CC2=C(C=C1O[Si](C)(C)C)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C=C1)C2=O | 3939.2 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,3TMS,isomer #5 | COC1=CC2=C(C=C1O[Si](C)(C)C)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C=C1)C2=O | 3952.3 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,3TMS,isomer #6 | COC1=CC2=C(C=C1O[Si](C)(C)C)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C=C1)C2=O | 3938.6 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,3TMS,isomer #7 | COC1=CC2=C(C=C1O)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C=C1)C2=O | 3939.4 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,3TMS,isomer #8 | COC1=CC2=C(C=C1O)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C=C1)C2=O | 3970.2 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,3TMS,isomer #9 | COC1=CC2=C(C=C1O)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C=C1)C2=O | 3945.6 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,4TMS,isomer #1 | COC1=CC2=C(C=C1O[Si](C)(C)C)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C=C1)C2=O | 3962.1 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,4TMS,isomer #2 | COC1=CC2=C(C=C1O[Si](C)(C)C)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C=C1)C2=O | 3984.3 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,4TMS,isomer #3 | COC1=CC2=C(C=C1O[Si](C)(C)C)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C=C1)C2=O | 3957.2 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,4TMS,isomer #4 | COC1=CC2=C(C=C1O[Si](C)(C)C)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C=C1)C2=O | 3961.5 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,4TMS,isomer #5 | COC1=CC2=C(C=C1O)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C=C1)C2=O | 3962.1 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,5TMS,isomer #1 | COC1=CC2=C(C=C1O[Si](C)(C)C)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C=C1)C2=O | 3989.7 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,1TBDMS,isomer #1 | COC1=CC2=C(C=C1O[Si](C)(C)C(C)(C)C)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C=C1)C2=O | 4408.7 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,1TBDMS,isomer #2 | COC1=CC2=C(C=C1O)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C=C1)C2=O | 4380.5 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,1TBDMS,isomer #3 | COC1=CC2=C(C=C1O)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C=C1)C2=O | 4386.0 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,1TBDMS,isomer #4 | COC1=CC2=C(C=C1O)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C=C1)C2=O | 4394.9 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,1TBDMS,isomer #5 | COC1=CC2=C(C=C1O)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C=C1)C2=O | 4433.1 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,2TBDMS,isomer #1 | COC1=CC2=C(C=C1O[Si](C)(C)C(C)(C)C)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C=C1)C2=O | 4562.3 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,2TBDMS,isomer #10 | COC1=CC2=C(C=C1O)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C=C1)C2=O | 4553.0 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,2TBDMS,isomer #2 | COC1=CC2=C(C=C1O[Si](C)(C)C(C)(C)C)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C=C1)C2=O | 4537.7 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,2TBDMS,isomer #3 | COC1=CC2=C(C=C1O[Si](C)(C)C(C)(C)C)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C=C1)C2=O | 4532.1 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,2TBDMS,isomer #4 | COC1=CC2=C(C=C1O[Si](C)(C)C(C)(C)C)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C=C1)C2=O | 4553.7 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,2TBDMS,isomer #5 | COC1=CC2=C(C=C1O)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C=C1)C2=O | 4542.7 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,2TBDMS,isomer #6 | COC1=CC2=C(C=C1O)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C=C1)C2=O | 4496.4 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,2TBDMS,isomer #7 | COC1=CC2=C(C=C1O)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C=C1)C2=O | 4524.7 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,2TBDMS,isomer #8 | COC1=CC2=C(C=C1O)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C=C1)C2=O | 4524.4 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,2TBDMS,isomer #9 | COC1=CC2=C(C=C1O)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)C=C1)C2=O | 4509.3 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,3TBDMS,isomer #1 | COC1=CC2=C(C=C1O[Si](C)(C)C(C)(C)C)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C=C1)C2=O | 4690.3 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,3TBDMS,isomer #10 | COC1=CC2=C(C=C1O)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)C=C1)C2=O | 4664.8 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,3TBDMS,isomer #2 | COC1=CC2=C(C=C1O[Si](C)(C)C(C)(C)C)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C=C1)C2=O | 4679.1 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,3TBDMS,isomer #3 | COC1=CC2=C(C=C1O[Si](C)(C)C(C)(C)C)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C=C1)C2=O | 4700.7 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,3TBDMS,isomer #4 | COC1=CC2=C(C=C1O[Si](C)(C)C(C)(C)C)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C=C1)C2=O | 4662.9 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,3TBDMS,isomer #5 | COC1=CC2=C(C=C1O[Si](C)(C)C(C)(C)C)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C=C1)C2=O | 4698.3 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,3TBDMS,isomer #6 | COC1=CC2=C(C=C1O[Si](C)(C)C(C)(C)C)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)C=C1)C2=O | 4679.8 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,3TBDMS,isomer #7 | COC1=CC2=C(C=C1O)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C=C1)C2=O | 4653.0 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,3TBDMS,isomer #8 | COC1=CC2=C(C=C1O)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C=C1)C2=O | 4700.9 | Semi standard non polar | 33892256 | Glycitein 4'-O-glucuronide,3TBDMS,isomer #9 | COC1=CC2=C(C=C1O)OC=C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)C=C1)C2=O | 4656.4 | Semi standard non polar | 33892256 |
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