Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2018-04-09 17:55:27 UTC |
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Update Date | 2022-03-07 03:18:15 UTC |
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HMDB ID | HMDB0240265 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | Puerarin |
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Description | Puerarin, also known as Kakonein, is a member of the class of compounds known as isoflavonoid C-glycosides. These compounds are C-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one. Puerarin is considered a slightly soluble (in water), acidic compound. Puerarin can be synthesized into puerarin xyloside. Puerarin is found in a number of plants and herbs, such as the root of the kudzu plant. |
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Structure | OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C2OC=C(C(=O)C2=CC=C1O)C1=CC=C(O)C=C1 InChI=1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2/t14-,17-,18+,19-,21+/m1/s1 |
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Synonyms | Value | Source |
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Daidzein 8-C-glucoside | HMDB | Kakonein | HMDB, MeSH |
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Chemical Formula | C21H20O9 |
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Average Molecular Weight | 416.3781 |
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Monoisotopic Molecular Weight | 416.110732238 |
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IUPAC Name | 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one |
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Traditional Name | puerarin |
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CAS Registry Number | 3681-99-0 |
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SMILES | OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C2OC=C(C(=O)C2=CC=C1O)C1=CC=C(O)C=C1 |
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InChI Identifier | InChI=1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2/t14-,17-,18+,19-,21+/m1/s1 |
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InChI Key | HKEAFJYKMMKDOR-VPRICQMDSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as isoflavonoid c-glycosides. These are c-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 C-glycosides |
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Direct Parent | Isoflavonoid C-glycosides |
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Alternative Parents | |
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Substituents | - Isoflavonoid c-glycoside
- Isoflavonoid-8-c-glycoside
- Hydroxyisoflavonoid
- Isoflavone
- Phenolic glycoside
- Hexose monosaccharide
- C-glycosyl compound
- Chromone
- Glycosyl compound
- Benzopyran
- 1-benzopyran
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Pyranone
- Pyran
- Monocyclic benzene moiety
- Benzenoid
- Oxane
- Monosaccharide
- Heteroaromatic compound
- Secondary alcohol
- Organoheterocyclic compound
- Oxacycle
- Ether
- Dialkyl ether
- Polyol
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Alcohol
- Primary alcohol
- Organooxygen compound
- 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 | Not Available |
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Disposition | Not Available |
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Process | Not Available |
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Role | Not Available |
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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 | Experimental Collision Cross Sections |
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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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Puerarin,1TMS,isomer #1 | C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O)[C@@H](O)[C@@H]1O | 3922.5 | Semi standard non polar | 33892256 | Puerarin,1TMS,isomer #2 | C[Si](C)(C)O[C@H]1[C@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)O[C@H](CO)[C@@H](O)[C@@H]1O | 3932.2 | Semi standard non polar | 33892256 | Puerarin,1TMS,isomer #3 | C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)O[C@H](CO)[C@H]1O | 3939.5 | Semi standard non polar | 33892256 | Puerarin,1TMS,isomer #4 | C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O)[C@H]1O | 3936.0 | Semi standard non polar | 33892256 | Puerarin,1TMS,isomer #5 | C[Si](C)(C)OC1=CC=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | 4013.7 | Semi standard non polar | 33892256 | Puerarin,1TMS,isomer #6 | C[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(O)=CC=C3C2=O)C=C1 | 3984.7 | Semi standard non polar | 33892256 | Puerarin,2TMS,isomer #1 | C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O)[C@@H](O)[C@@H]1O | 3838.6 | Semi standard non polar | 33892256 | Puerarin,2TMS,isomer #10 | C[Si](C)(C)OC1=CC=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O | 3864.1 | Semi standard non polar | 33892256 | Puerarin,2TMS,isomer #11 | C[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C(O)=CC=C3C2=O)C=C1 | 3835.9 | Semi standard non polar | 33892256 | Puerarin,2TMS,isomer #12 | C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)O[C@H](CO)[C@H]1O[Si](C)(C)C | 3800.1 | Semi standard non polar | 33892256 | Puerarin,2TMS,isomer #13 | C[Si](C)(C)OC1=CC=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O | 3851.3 | Semi standard non polar | 33892256 | Puerarin,2TMS,isomer #14 | C[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C(O)=CC=C3C2=O)C=C1 | 3828.2 | Semi standard non polar | 33892256 | Puerarin,2TMS,isomer #15 | C[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(O[Si](C)(C)C)=CC=C3C2=O)C=C1 | 3918.5 | Semi standard non polar | 33892256 | Puerarin,2TMS,isomer #2 | C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C)C=C2)C3=O)[C@H](O)[C@@H](O)[C@@H]1O | 3834.5 | Semi standard non polar | 33892256 | Puerarin,2TMS,isomer #3 | C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O | 3787.7 | Semi standard non polar | 33892256 | Puerarin,2TMS,isomer #4 | C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O | 3779.3 | Semi standard non polar | 33892256 | Puerarin,2TMS,isomer #5 | C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C | 3807.5 | Semi standard non polar | 33892256 | Puerarin,2TMS,isomer #6 | C[Si](C)(C)OC1=CC=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C | 3863.8 | Semi standard non polar | 33892256 | Puerarin,2TMS,isomer #7 | C[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C(O)=CC=C3C2=O)C=C1 | 3819.2 | Semi standard non polar | 33892256 | Puerarin,2TMS,isomer #8 | C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O[Si](C)(C)C)[C@H]1O | 3783.5 | Semi standard non polar | 33892256 | Puerarin,2TMS,isomer #9 | C[Si](C)(C)O[C@H]1[C@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C | 3808.1 | Semi standard non polar | 33892256 | Puerarin,3TMS,isomer #1 | C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C)C=C2)C3=O)[C@H](O)[C@@H](O)[C@@H]1O | 3786.8 | Semi standard non polar | 33892256 | Puerarin,3TMS,isomer #10 | C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C | 3720.8 | Semi standard non polar | 33892256 | Puerarin,3TMS,isomer #11 | C[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C(O[Si](C)(C)C)=CC=C3C2=O)C=C1 | 3786.0 | Semi standard non polar | 33892256 | Puerarin,3TMS,isomer #12 | C[Si](C)(C)OC1=CC=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C | 3727.0 | Semi standard non polar | 33892256 | Puerarin,3TMS,isomer #13 | C[Si](C)(C)OC1=CC=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C | 3746.3 | Semi standard non polar | 33892256 | Puerarin,3TMS,isomer #14 | C[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)C(O)=CC=C3C2=O)C=C1 | 3727.1 | Semi standard non polar | 33892256 | Puerarin,3TMS,isomer #15 | C[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C(O)=CC=C3C2=O)C=C1 | 3739.8 | Semi standard non polar | 33892256 | Puerarin,3TMS,isomer #16 | C[Si](C)(C)O[C@H]1[C@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C | 3715.4 | Semi standard non polar | 33892256 | Puerarin,3TMS,isomer #17 | C[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C(O[Si](C)(C)C)=CC=C3C2=O)C=C1 | 3797.7 | Semi standard non polar | 33892256 | Puerarin,3TMS,isomer #18 | C[Si](C)(C)OC1=CC=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O | 3734.2 | Semi standard non polar | 33892256 | Puerarin,3TMS,isomer #19 | C[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C(O)=CC=C3C2=O)C=C1 | 3735.7 | Semi standard non polar | 33892256 | Puerarin,3TMS,isomer #2 | C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O | 3729.0 | Semi standard non polar | 33892256 | Puerarin,3TMS,isomer #20 | C[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C(O[Si](C)(C)C)=CC=C3C2=O)C=C1 | 3787.2 | Semi standard non polar | 33892256 | Puerarin,3TMS,isomer #3 | C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O | 3727.7 | Semi standard non polar | 33892256 | Puerarin,3TMS,isomer #4 | C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C | 3747.7 | Semi standard non polar | 33892256 | Puerarin,3TMS,isomer #5 | C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C)C=C2)C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O | 3727.4 | Semi standard non polar | 33892256 | Puerarin,3TMS,isomer #6 | C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C)C=C2)C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O | 3734.4 | Semi standard non polar | 33892256 | Puerarin,3TMS,isomer #7 | C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C)C=C2)C3=O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C | 3752.6 | Semi standard non polar | 33892256 | Puerarin,3TMS,isomer #8 | C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O | 3696.0 | Semi standard non polar | 33892256 | Puerarin,3TMS,isomer #9 | C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C | 3697.4 | Semi standard non polar | 33892256 | Puerarin,4TMS,isomer #1 | C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C)C=C2)C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O | 3735.5 | Semi standard non polar | 33892256 | Puerarin,4TMS,isomer #10 | C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C | 3695.1 | Semi standard non polar | 33892256 | Puerarin,4TMS,isomer #11 | C[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)C(O[Si](C)(C)C)=CC=C3C2=O)C=C1 | 3743.0 | Semi standard non polar | 33892256 | Puerarin,4TMS,isomer #12 | C[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C(O[Si](C)(C)C)=CC=C3C2=O)C=C1 | 3751.9 | Semi standard non polar | 33892256 | Puerarin,4TMS,isomer #13 | C[Si](C)(C)OC1=CC=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C | 3695.1 | Semi standard non polar | 33892256 | Puerarin,4TMS,isomer #14 | C[Si](C)(C)OC1=CC=C(C2=COC3=C([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)C(O)=CC=C3C2=O)C=C1 | 3729.3 | Semi standard non polar | 33892256 | Puerarin,4TMS,isomer #15 | C[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C(O[Si](C)(C)C)=CC=C3C2=O)C=C1 | 3741.3 | Semi standard non polar | 33892256 | Puerarin,4TMS,isomer #2 | C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C)C=C2)C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O | 3724.4 | Semi standard non polar | 33892256 | Puerarin,4TMS,isomer #3 | C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C)C=C2)C3=O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C | 3747.5 | Semi standard non polar | 33892256 | Puerarin,4TMS,isomer #4 | C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O | 3664.7 | Semi standard non polar | 33892256 | Puerarin,4TMS,isomer #5 | C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C | 3668.3 | Semi standard non polar | 33892256 | Puerarin,4TMS,isomer #6 | C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C | 3704.5 | Semi standard non polar | 33892256 | Puerarin,4TMS,isomer #7 | C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C)C=C2)C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O | 3702.0 | Semi standard non polar | 33892256 | Puerarin,4TMS,isomer #8 | C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C)C=C2)C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C | 3698.8 | Semi standard non polar | 33892256 | Puerarin,4TMS,isomer #9 | C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C)C=C2)C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C | 3724.5 | Semi standard non polar | 33892256 | Puerarin,5TMS,isomer #1 | C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C)C=C2)C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O | 3707.6 | Semi standard non polar | 33892256 | Puerarin,5TMS,isomer #2 | C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C)C=C2)C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C | 3710.0 | Semi standard non polar | 33892256 | Puerarin,5TMS,isomer #3 | C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C)C=C2)C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C | 3744.5 | Semi standard non polar | 33892256 | Puerarin,5TMS,isomer #4 | C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C | 3706.5 | Semi standard non polar | 33892256 | Puerarin,5TMS,isomer #5 | C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C)C=C2)C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C | 3735.3 | Semi standard non polar | 33892256 | Puerarin,5TMS,isomer #6 | C[Si](C)(C)OC1=CC=C(C2=COC3=C([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)C(O[Si](C)(C)C)=CC=C3C2=O)C=C1 | 3741.1 | Semi standard non polar | 33892256 | Puerarin,6TMS,isomer #1 | C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C)C=C2)C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C | 3757.9 | Semi standard non polar | 33892256 | Puerarin,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O)[C@@H](O)[C@@H]1O | 4195.3 | Semi standard non polar | 33892256 | Puerarin,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)O[C@H](CO)[C@@H](O)[C@@H]1O | 4195.8 | Semi standard non polar | 33892256 | Puerarin,1TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)O[C@H](CO)[C@H]1O | 4196.8 | Semi standard non polar | 33892256 | Puerarin,1TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O)[C@H]1O | 4201.6 | Semi standard non polar | 33892256 | Puerarin,1TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC1=CC=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | 4256.3 | Semi standard non polar | 33892256 | Puerarin,1TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(O)=CC=C3C2=O)C=C1 | 4227.4 | Semi standard non polar | 33892256 | Puerarin,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C(C)(C)C)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O)[C@@H](O)[C@@H]1O | 4375.6 | Semi standard non polar | 33892256 | Puerarin,2TBDMS,isomer #10 | CC(C)(C)[Si](C)(C)OC1=CC=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O | 4367.1 | Semi standard non polar | 33892256 | Puerarin,2TBDMS,isomer #11 | CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)C(O)=CC=C3C2=O)C=C1 | 4371.5 | Semi standard non polar | 33892256 | Puerarin,2TBDMS,isomer #12 | CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)O[C@H](CO)[C@H]1O[Si](C)(C)C(C)(C)C | 4291.7 | Semi standard non polar | 33892256 | Puerarin,2TBDMS,isomer #13 | CC(C)(C)[Si](C)(C)OC1=CC=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O | 4374.9 | Semi standard non polar | 33892256 | Puerarin,2TBDMS,isomer #14 | CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)C(O)=CC=C3C2=O)C=C1 | 4371.2 | Semi standard non polar | 33892256 | Puerarin,2TBDMS,isomer #15 | CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(O[Si](C)(C)C(C)(C)C)=CC=C3C2=O)C=C1 | 4430.8 | Semi standard non polar | 33892256 | Puerarin,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C3=O)[C@H](O)[C@@H](O)[C@@H]1O | 4366.3 | Semi standard non polar | 33892256 | Puerarin,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O | 4299.6 | Semi standard non polar | 33892256 | Puerarin,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O | 4291.0 | Semi standard non polar | 33892256 | Puerarin,2TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C | 4328.1 | Semi standard non polar | 33892256 | Puerarin,2TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OC1=CC=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C | 4363.3 | Semi standard non polar | 33892256 | Puerarin,2TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C(O)=CC=C3C2=O)C=C1 | 4345.5 | Semi standard non polar | 33892256 | Puerarin,2TBDMS,isomer #8 | CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O | 4284.6 | Semi standard non polar | 33892256 | Puerarin,2TBDMS,isomer #9 | CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C | 4297.6 | Semi standard non polar | 33892256 | Puerarin,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C(C)(C)C)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C3=O)[C@H](O)[C@@H](O)[C@@H]1O | 4569.9 | Semi standard non polar | 33892256 | Puerarin,3TBDMS,isomer #10 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C | 4413.1 | Semi standard non polar | 33892256 | Puerarin,3TBDMS,isomer #11 | CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=CC=C3C2=O)C=C1 | 4560.0 | Semi standard non polar | 33892256 | Puerarin,3TBDMS,isomer #12 | CC(C)(C)[Si](C)(C)OC1=CC=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C | 4443.4 | Semi standard non polar | 33892256 | Puerarin,3TBDMS,isomer #13 | CC(C)(C)[Si](C)(C)OC1=CC=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C | 4446.8 | Semi standard non polar | 33892256 | Puerarin,3TBDMS,isomer #14 | CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=C([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)C(O)=CC=C3C2=O)C=C1 | 4511.3 | Semi standard non polar | 33892256 | Puerarin,3TBDMS,isomer #15 | CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=C([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)C(O)=CC=C3C2=O)C=C1 | 4513.6 | Semi standard non polar | 33892256 | Puerarin,3TBDMS,isomer #16 | CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C | 4396.2 | Semi standard non polar | 33892256 | Puerarin,3TBDMS,isomer #17 | CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)C(O[Si](C)(C)C(C)(C)C)=CC=C3C2=O)C=C1 | 4589.5 | Semi standard non polar | 33892256 | Puerarin,3TBDMS,isomer #18 | CC(C)(C)[Si](C)(C)OC1=CC=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1[C@@H]1O[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]1O | 4446.3 | Semi standard non polar | 33892256 | Puerarin,3TBDMS,isomer #19 | CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=C([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)C(O)=CC=C3C2=O)C=C1 | 4503.7 | Semi standard non polar | 33892256 | Puerarin,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C(C)(C)C)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O | 4454.6 | Semi standard non polar | 33892256 | Puerarin,3TBDMS,isomer #20 | CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)C(O[Si](C)(C)C(C)(C)C)=CC=C3C2=O)C=C1 | 4582.8 | Semi standard non polar | 33892256 | Puerarin,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C(C)(C)C)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O | 4446.0 | Semi standard non polar | 33892256 | Puerarin,3TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C(C)(C)C)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C | 4474.3 | Semi standard non polar | 33892256 | Puerarin,3TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O | 4500.0 | Semi standard non polar | 33892256 | Puerarin,3TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C3=O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O | 4508.1 | Semi standard non polar | 33892256 | Puerarin,3TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C3=O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C | 4532.1 | Semi standard non polar | 33892256 | Puerarin,3TBDMS,isomer #8 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O | 4389.5 | Semi standard non polar | 33892256 | Puerarin,3TBDMS,isomer #9 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C | 4401.4 | Semi standard non polar | 33892256 | Puerarin,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C(C)(C)C)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O | 4666.2 | Semi standard non polar | 33892256 | Puerarin,4TBDMS,isomer #10 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[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 | 4529.3 | Semi standard non polar | 33892256 | Puerarin,4TBDMS,isomer #11 | CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=C([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)C(O[Si](C)(C)C(C)(C)C)=CC=C3C2=O)C=C1 | 4672.9 | Semi standard non polar | 33892256 | Puerarin,4TBDMS,isomer #12 | CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=C([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)C(O[Si](C)(C)C(C)(C)C)=CC=C3C2=O)C=C1 | 4676.6 | Semi standard non polar | 33892256 | Puerarin,4TBDMS,isomer #13 | CC(C)(C)[Si](C)(C)OC1=CC=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1[C@@H]1O[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]1O[Si](C)(C)C(C)(C)C | 4561.3 | Semi standard non polar | 33892256 | Puerarin,4TBDMS,isomer #14 | CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=C([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)C(O)=CC=C3C2=O)C=C1 | 4615.9 | Semi standard non polar | 33892256 | Puerarin,4TBDMS,isomer #15 | CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=C([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)C(O[Si](C)(C)C(C)(C)C)=CC=C3C2=O)C=C1 | 4675.8 | Semi standard non polar | 33892256 | Puerarin,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C(C)(C)C)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C3=O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O | 4673.8 | Semi standard non polar | 33892256 | Puerarin,4TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C(C)(C)C)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C3=O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C | 4684.2 | Semi standard non polar | 33892256 | Puerarin,4TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C(C)(C)C)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O | 4548.0 | Semi standard non polar | 33892256 | Puerarin,4TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C(C)(C)C)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C | 4560.6 | Semi standard non polar | 33892256 | Puerarin,4TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C(C)(C)C)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C | 4574.5 | Semi standard non polar | 33892256 | Puerarin,4TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O | 4608.4 | Semi standard non polar | 33892256 | Puerarin,4TBDMS,isomer #8 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C | 4619.7 | Semi standard non polar | 33892256 | Puerarin,4TBDMS,isomer #9 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C3=O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C | 4625.6 | Semi standard non polar | 33892256 |
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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 - Puerarin GC-MS (TMS_3_13) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Puerarin GC-MS (TMS_4_12) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Puerarin GC-MS (TMS_4_13) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Puerarin GC-MS (TMS_5_6) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Puerarin GC-MS (TBDMS_3_13) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Puerarin GC-MS (TBDMS_4_12) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Puerarin GC-MS (TBDMS_4_13) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Puerarin GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Puerarin GC-MS ("Puerarin,3TMS,#13" TMS) - 70eV, Positive | Not Available | 2021-10-14 | 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 - Puerarin ESI-TOF 10V, Negative-QTOF | splash10-014i-0000900000-a447d2afd42a9adc0525 | 2017-09-12 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Puerarin ESI-TOF , Negative-QTOF | splash10-014i-0000900010-b863ae3f0b9ed17d9a39 | 2017-09-12 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Puerarin ESI-TOF 30V, Negative-QTOF | splash10-00kb-0090000000-f3c4a0b4e3177f12510c | 2017-09-12 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Puerarin ESI-TOF 10V, Negative-QTOF | splash10-014i-0000900000-7fed27e6dfa7750805dd | 2017-09-12 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Puerarin ESI-TOF 40V, Negative-QTOF | splash10-014i-0090000000-f75bdf7912e48c207955 | 2017-09-12 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Puerarin ESI-TOF 20V, Negative-QTOF | splash10-014i-0030900000-10d084d95d3435217c83 | 2017-09-12 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Puerarin LC-ESI-QTOF , negative-QTOF | splash10-014i-0090400000-481c4f8fe95244f15005 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Puerarin LC-ESI-QTOF , negative-QTOF | splash10-014i-0090000000-ac8678cf06d1e6bce654 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Puerarin LC-ESI-QTOF , negative-QTOF | splash10-014i-0090300000-5d6a0eab5c14814a4876 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Puerarin LC-ESI-ITTOF , negative-QTOF | splash10-014j-0090000000-855096dd52732f7b802e | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Puerarin LC-ESI-TOF , negative-QTOF | splash10-014i-0000900000-a447d2afd42a9adc0525 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Puerarin LC-ESI-TOF , negative-QTOF | splash10-00kb-0090000000-f3c4a0b4e3177f12510c | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Puerarin LC-ESI-TOF , negative-QTOF | splash10-014i-0090000000-f75bdf7912e48c207955 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Puerarin LC-ESI-TOF , negative-QTOF | splash10-014i-0030900000-10d084d95d3435217c83 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Puerarin LC-ESI-QTOF , positive-QTOF | splash10-014j-0092000000-03ba756c29bd3277b6df | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Puerarin LC-ESI-QTOF , positive-QTOF | splash10-014j-0094400000-200fe93c295eb613d556 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Puerarin LC-ESI-QTOF , positive-QTOF | splash10-014j-0094300000-4b73ac74f54128ae757c | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Puerarin 30V, Positive-QTOF | splash10-00kb-0090000000-f3c4a0b4e3177f12510c | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Puerarin 10V, Positive-QTOF | splash10-014i-0096800000-d6312c27002bfd46810b | 2021-09-20 | HMDB team, MONA | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Puerarin 10V, Positive-QTOF | splash10-014j-0006900000-72f7b6dd0e4eec3d3ade | 2017-07-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Puerarin 20V, Positive-QTOF | splash10-00kb-4329200000-2e230239b6cd7477ddda | 2017-07-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Puerarin 40V, Positive-QTOF | splash10-001i-5192000000-ea47ef7f757cec0586aa | 2017-07-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Puerarin 10V, Negative-QTOF | splash10-014i-1023900000-1ecfa6960eb10debbb7f | 2017-07-26 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Puerarin 20V, Negative-QTOF | splash10-0v4j-9288300000-111a550d30fb2d6bd290 | 2017-07-26 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Puerarin 40V, Negative-QTOF | splash10-0f6x-9161000000-9780d6d0c4232c48e84e | 2017-07-26 | Wishart Lab | View Spectrum |
NMR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum |
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