Record Information |
---|
Version | 5.0 |
---|
Status | Detected but not Quantified |
---|
Creation Date | 2019-10-08 18:41:09 UTC |
---|
Update Date | 2022-03-07 03:18:17 UTC |
---|
HMDB ID | HMDB0240483 |
---|
Secondary Accession Numbers | None |
---|
Metabolite Identification |
---|
Common Name | Biochanin a 7-glucuronide |
---|
Description | Biochanin a 7-glucuronide 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. Based on a literature review very few articles have been published on Biochanin a 7-glucuronide. |
---|
Structure | [H][C@@]1(OC2=CC(O)=C3C(OC=C(C3=O)C3=CC=C(OC)C=C3)=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O InChI=1S/C22H20O11/c1-30-10-4-2-9(3-5-10)12-8-31-14-7-11(6-13(23)15(14)16(12)24)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 |
---|
Synonyms | Value | Source |
---|
(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-{[5-hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylate | Generator, HMDB |
|
---|
Chemical Formula | C22H20O11 |
---|
Average Molecular Weight | 460.391 |
---|
Monoisotopic Molecular Weight | 460.100561464 |
---|
IUPAC Name | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid |
---|
Traditional Name | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy}oxane-2-carboxylic acid |
---|
CAS Registry Number | Not Available |
---|
SMILES | [H][C@@]1(OC2=CC(O)=C3C(OC=C(C3=O)C3=CC=C(OC)C=C3)=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O |
---|
InChI Identifier | InChI=1S/C22H20O11/c1-30-10-4-2-9(3-5-10)12-8-31-14-7-11(6-13(23)15(14)16(12)24)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 |
---|
InChI Key | KXYGEGYBMOCKNJ-SXFAUFNYSA-N |
---|
Chemical Taxonomy |
---|
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. |
---|
Kingdom | Organic compounds |
---|
Super Class | Phenylpropanoids and polyketides |
---|
Class | Isoflavonoids |
---|
Sub Class | Isoflavonoid O-glycosides |
---|
Direct Parent | Isoflavonoid O-glycosides |
---|
Alternative Parents | |
---|
Substituents | - Isoflavonoid o-glycoside
- Isoflavonoid-7-o-glycoside
- 4p-o-methylisoflavone
- Isoflavone
- Hydroxyisoflavonoid
- Phenolic glycoside
- 1-o-glucuronide
- O-glucuronide
- Glucuronic acid or derivatives
- O-glycosyl compound
- Glycosyl compound
- Chromone
- Benzopyran
- 1-benzopyran
- Phenoxy compound
- Anisole
- Phenol ether
- Methoxybenzene
- 1-hydroxy-2-unsubstituted benzenoid
- 1-hydroxy-4-unsubstituted benzenoid
- Alkyl aryl ether
- Pyranone
- Beta-hydroxy acid
- Monosaccharide
- Oxane
- Hydroxy acid
- Monocyclic benzene moiety
- Pyran
- Benzenoid
- Heteroaromatic compound
- Vinylogous acid
- Secondary alcohol
- Polyol
- Ether
- Acetal
- Carboxylic acid
- Carboxylic acid derivative
- Organoheterocyclic compound
- Oxacycle
- Monocarboxylic acid or derivatives
- Carbonyl group
- Organic oxygen compound
- Hydrocarbon derivative
- Organic oxide
- Alcohol
- Organooxygen compound
- Aromatic heteropolycyclic compound
|
---|
Molecular Framework | Aromatic heteropolycyclic compounds |
---|
External Descriptors | Not Available |
---|
Ontology |
---|
Physiological effect | Not Available |
---|
Disposition | |
---|
Process | Not Available |
---|
Role | Not Available |
---|
Physical Properties |
---|
State | Not Available |
---|
Experimental Molecular Properties | Property | Value | Reference |
---|
Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
|
---|
Experimental Chromatographic Properties | Not Available |
---|
Predicted Molecular Properties | |
---|
Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
---|
Biochanin a 7-glucuronide,1TMS,isomer #1 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC(O[Si](C)(C)C)=C3C2=O)C=C1 | 4147.8 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,1TMS,isomer #2 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)=CC(O)=C3C2=O)C=C1 | 4129.9 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,1TMS,isomer #3 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC(O)=C3C2=O)C=C1 | 4130.5 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,1TMS,isomer #4 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC(O)=C3C2=O)C=C1 | 4104.7 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,1TMS,isomer #5 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC(O)=C3C2=O)C=C1 | 4137.5 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,2TMS,isomer #1 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)=CC(O[Si](C)(C)C)=C3C2=O)C=C1 | 4027.6 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,2TMS,isomer #10 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=CC(O)=C3C2=O)C=C1 | 3983.7 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,2TMS,isomer #2 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC(O[Si](C)(C)C)=C3C2=O)C=C1 | 4010.6 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,2TMS,isomer #3 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC(O[Si](C)(C)C)=C3C2=O)C=C1 | 3994.5 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,2TMS,isomer #4 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C=C1 | 4007.3 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,2TMS,isomer #5 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC(O)=C3C2=O)C=C1 | 4021.9 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,2TMS,isomer #6 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC(O)=C3C2=O)C=C1 | 3972.8 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,2TMS,isomer #7 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC(O)=C3C2=O)C=C1 | 4012.6 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,2TMS,isomer #8 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=CC(O)=C3C2=O)C=C1 | 3976.5 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,2TMS,isomer #9 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=CC(O)=C3C2=O)C=C1 | 4000.6 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,3TMS,isomer #1 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC(O[Si](C)(C)C)=C3C2=O)C=C1 | 3958.4 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,3TMS,isomer #10 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=CC(O)=C3C2=O)C=C1 | 3948.5 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,3TMS,isomer #2 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC(O[Si](C)(C)C)=C3C2=O)C=C1 | 3929.9 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,3TMS,isomer #3 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C=C1 | 3958.8 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,3TMS,isomer #4 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=CC(O[Si](C)(C)C)=C3C2=O)C=C1 | 3928.7 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,3TMS,isomer #5 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C=C1 | 3941.1 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,3TMS,isomer #6 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C=C1 | 3934.6 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,3TMS,isomer #7 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[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]4O)=CC(O)=C3C2=O)C=C1 | 3934.7 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,3TMS,isomer #8 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=CC(O)=C3C2=O)C=C1 | 3964.4 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,3TMS,isomer #9 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=CC(O)=C3C2=O)C=C1 | 3935.1 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,4TMS,isomer #1 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[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]4O)=CC(O[Si](C)(C)C)=C3C2=O)C=C1 | 3924.7 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,4TMS,isomer #2 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C=C1 | 3950.2 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,4TMS,isomer #3 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C=C1 | 3917.6 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,4TMS,isomer #4 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C=C1 | 3934.1 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,4TMS,isomer #5 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[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]4O[Si](C)(C)C)=CC(O)=C3C2=O)C=C1 | 3954.4 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,5TMS,isomer #1 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[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]4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C=C1 | 3944.5 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,1TBDMS,isomer #1 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C=C1 | 4423.1 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,1TBDMS,isomer #2 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)=CC(O)=C3C2=O)C=C1 | 4441.8 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,1TBDMS,isomer #3 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)=CC(O)=C3C2=O)C=C1 | 4374.5 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,1TBDMS,isomer #4 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=CC(O)=C3C2=O)C=C1 | 4369.7 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,1TBDMS,isomer #5 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C=C1 | 4397.6 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,2TBDMS,isomer #1 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C=C1 | 4550.5 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,2TBDMS,isomer #10 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C=C1 | 4471.6 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,2TBDMS,isomer #2 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C=C1 | 4520.0 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,2TBDMS,isomer #3 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C=C1 | 4522.2 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,2TBDMS,isomer #4 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C=C1 | 4541.9 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,2TBDMS,isomer #5 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[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]4O)=CC(O)=C3C2=O)C=C1 | 4525.4 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,2TBDMS,isomer #6 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[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]4O)=CC(O)=C3C2=O)C=C1 | 4484.5 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,2TBDMS,isomer #7 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C=C1 | 4531.0 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,2TBDMS,isomer #8 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[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]4O)=CC(O)=C3C2=O)C=C1 | 4454.2 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,2TBDMS,isomer #9 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C=C1 | 4474.8 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,3TBDMS,isomer #1 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[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]4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C=C1 | 4671.7 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,3TBDMS,isomer #10 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[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]4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C=C1 | 4599.2 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,3TBDMS,isomer #2 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[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]4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C=C1 | 4651.6 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,3TBDMS,isomer #3 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C=C1 | 4691.0 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,3TBDMS,isomer #4 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[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]4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C=C1 | 4635.2 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,3TBDMS,isomer #5 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C=C1 | 4678.0 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,3TBDMS,isomer #6 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C=C1 | 4662.6 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,3TBDMS,isomer #7 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[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]4O)=CC(O)=C3C2=O)C=C1 | 4609.3 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,3TBDMS,isomer #8 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[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]4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C=C1 | 4668.0 | Semi standard non polar | 33892256 | Biochanin a 7-glucuronide,3TBDMS,isomer #9 | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[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]4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C=C1 | 4624.2 | Semi standard non polar | 33892256 |
|
---|