Record Information |
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Version | 5.0 |
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Status | Detected but not Quantified |
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Creation Date | 2021-09-11 11:05:02 UTC |
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Update Date | 2021-09-26 23:05:52 UTC |
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HMDB ID | HMDB0252936 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | Grape seed extract |
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Description | Grape seed extract, also known as extract, grape seed or seed extract, grape, belongs to the class of organic compounds known as biflavonoids and polyflavonoids. These are organic compounds containing at least two flavan/flavone units. These units are usually linked through CC or C-O-C bonds. Some examples include C2-O-C3, C2-O-C4, C3'-C3''', and C6-C8''. Based on a literature review a significant number of articles have been published on Grape seed extract. This compound has been identified in human blood as reported by (PMID: 31557052 ). Grape seed extract is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Grape seed extract is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources. |
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Structure | CC1=CC(O)=C(C2C(O)C(OC3=CC(O)=CC(O)=C23)C2=CC(O)=C(O)C=C2)C2=C1CC(C)(O)C(O2)C1=CC(O)=C(O)C=C1 InChI=1S/C32H30O11/c1-13-7-22(38)26(30-17(13)12-32(2,41)31(43-30)15-4-6-19(35)21(37)9-15)27-25-23(39)10-16(33)11-24(25)42-29(28(27)40)14-3-5-18(34)20(36)8-14/h3-11,27-29,31,33-41H,12H2,1-2H3 |
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Synonyms | Value | Source |
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Extract, grape seed | HMDB | Seed extract, grape | HMDB |
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Chemical Formula | C32H30O11 |
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Average Molecular Weight | 590.581 |
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Monoisotopic Molecular Weight | 590.178811786 |
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IUPAC Name | 2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,5-dimethyl-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol |
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Traditional Name | 2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,5-dimethyl-2,4-dihydro-1-benzopyran-8-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol |
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CAS Registry Number | Not Available |
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SMILES | CC1=CC(O)=C(C2C(O)C(OC3=CC(O)=CC(O)=C23)C2=CC(O)=C(O)C=C2)C2=C1CC(C)(O)C(O2)C1=CC(O)=C(O)C=C1 |
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InChI Identifier | InChI=1S/C32H30O11/c1-13-7-22(38)26(30-17(13)12-32(2,41)31(43-30)15-4-6-19(35)21(37)9-15)27-25-23(39)10-16(33)11-24(25)42-29(28(27)40)14-3-5-18(34)20(36)8-14/h3-11,27-29,31,33-41H,12H2,1-2H3 |
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InChI Key | VWKAFYWVDIOMSL-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as biflavonoids and polyflavonoids. These are organic compounds containing at least two flavan/flavone units. These units are usually linked through CC or C-O-C bonds. Some examples include C2-O-C3, C2-O-C4, C3'-C3''', and C6-C8''. |
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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 | Biflavonoids and polyflavonoids |
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Direct Parent | Biflavonoids and polyflavonoids |
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Alternative Parents | |
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Substituents | - B-type proanthocyanidin
- Bi- and polyflavonoid skeleton
- Proanthocyanidin
- Catechin
- 3'-hydroxyflavonoid
- 3-hydroxyflavonoid
- 4'-hydroxyflavonoid
- 5-hydroxyflavonoid
- 7-hydroxyflavonoid
- Flavan-3-ol
- Hydroxyflavonoid
- Flavan
- Chromane
- Benzopyran
- 1-benzopyran
- Catechol
- Phenol
- Alkyl aryl ether
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Benzenoid
- Monocyclic benzene moiety
- Tertiary alcohol
- Secondary alcohol
- Organoheterocyclic compound
- Polyol
- Oxacycle
- Ether
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- Organic oxygen compound
- 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 | 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 | Not Available |
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Predicted Molecular Properties | | Show more...
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredictor | Adduct Type | CCS Value (Å2) | Reference |
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DeepCCS | [M-2H]- | 263.558 | 30932474 | DeepCCS | [M+Na]+ | 237.747 | 30932474 |
Predicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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Grape seed extract,2TMS,isomer #1 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O)C(O)=C1)O2 | 5476.1 | Semi standard non polar | 33892256 | Grape seed extract,2TMS,isomer #1 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O)C(O)=C1)O2 | 4695.0 | Standard non polar | 33892256 | Grape seed extract,2TMS,isomer #1 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O)C(O)=C1)O2 | 6782.0 | Standard polar | 33892256 | Grape seed extract,3TMS,isomer #1 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O)C(O)=C1)O2 | 5320.1 | Semi standard non polar | 33892256 | Grape seed extract,3TMS,isomer #1 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O)C(O)=C1)O2 | 4628.1 | Standard non polar | 33892256 | Grape seed extract,3TMS,isomer #1 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O)C(O)=C1)O2 | 6329.7 | Standard polar | 33892256 | Grape seed extract,3TMS,isomer #2 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O)C(O)=C1)O2 | 5317.5 | Semi standard non polar | 33892256 | Grape seed extract,3TMS,isomer #2 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O)C(O)=C1)O2 | 4657.1 | Standard non polar | 33892256 | Grape seed extract,3TMS,isomer #2 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O)C(O)=C1)O2 | 6401.3 | Standard polar | 33892256 | Grape seed extract,3TMS,isomer #3 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O)C(O)=C1)O2 | 5288.3 | Semi standard non polar | 33892256 | Grape seed extract,3TMS,isomer #3 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O)C(O)=C1)O2 | 4663.3 | Standard non polar | 33892256 | Grape seed extract,3TMS,isomer #3 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O)C(O)=C1)O2 | 6424.6 | Standard polar | 33892256 | Grape seed extract,3TMS,isomer #4 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C2=C1CC(C)(O)C(C1=CC=C(O)C(O)=C1)O2 | 5313.6 | Semi standard non polar | 33892256 | Grape seed extract,3TMS,isomer #4 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C2=C1CC(C)(O)C(C1=CC=C(O)C(O)=C1)O2 | 4631.9 | Standard non polar | 33892256 | Grape seed extract,3TMS,isomer #4 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C2=C1CC(C)(O)C(C1=CC=C(O)C(O)=C1)O2 | 6344.4 | Standard polar | 33892256 | Grape seed extract,3TMS,isomer #5 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C2=C1CC(C)(O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2 | 5352.8 | Semi standard non polar | 33892256 | Grape seed extract,3TMS,isomer #5 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C2=C1CC(C)(O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2 | 4637.0 | Standard non polar | 33892256 | Grape seed extract,3TMS,isomer #5 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C2=C1CC(C)(O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2 | 6428.3 | Standard polar | 33892256 | Grape seed extract,3TMS,isomer #6 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2 | 5317.7 | Semi standard non polar | 33892256 | Grape seed extract,3TMS,isomer #6 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2 | 4660.3 | Standard non polar | 33892256 | Grape seed extract,3TMS,isomer #6 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2 | 6407.2 | Standard polar | 33892256 | Grape seed extract,3TMS,isomer #7 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2 | 5286.9 | Semi standard non polar | 33892256 | Grape seed extract,3TMS,isomer #7 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2 | 4662.6 | Standard non polar | 33892256 | Grape seed extract,3TMS,isomer #7 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2 | 6427.9 | Standard polar | 33892256 | Grape seed extract,4TMS,isomer #1 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O)C(O)=C1)O2 | 5095.6 | Semi standard non polar | 33892256 | Grape seed extract,4TMS,isomer #1 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O)C(O)=C1)O2 | 4609.4 | Standard non polar | 33892256 | Grape seed extract,4TMS,isomer #1 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O)C(O)=C1)O2 | 6093.3 | Standard polar | 33892256 | Grape seed extract,4TMS,isomer #10 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2 | 5072.8 | Semi standard non polar | 33892256 | Grape seed extract,4TMS,isomer #10 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2 | 4646.3 | Standard non polar | 33892256 | Grape seed extract,4TMS,isomer #10 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2 | 6161.9 | Standard polar | 33892256 | Grape seed extract,4TMS,isomer #11 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2 | 5042.3 | Semi standard non polar | 33892256 | Grape seed extract,4TMS,isomer #11 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2 | 4653.3 | Standard non polar | 33892256 | Grape seed extract,4TMS,isomer #11 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2 | 6175.7 | Standard polar | 33892256 | Grape seed extract,4TMS,isomer #12 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)C2=C1CC(C)(O)C(C1=CC=C(O)C(O)=C1)O2 | 5108.2 | Semi standard non polar | 33892256 | Grape seed extract,4TMS,isomer #12 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)C2=C1CC(C)(O)C(C1=CC=C(O)C(O)=C1)O2 | 4634.3 | Standard non polar | 33892256 | Grape seed extract,4TMS,isomer #12 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)C2=C1CC(C)(O)C(C1=CC=C(O)C(O)=C1)O2 | 6100.2 | Standard polar | 33892256 | Grape seed extract,4TMS,isomer #13 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O)C2=C1CC(C)(O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2 | 5147.7 | Semi standard non polar | 33892256 | Grape seed extract,4TMS,isomer #13 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O)C2=C1CC(C)(O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2 | 4643.2 | Standard non polar | 33892256 | Grape seed extract,4TMS,isomer #13 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O)C2=C1CC(C)(O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2 | 6157.1 | Standard polar | 33892256 | Grape seed extract,4TMS,isomer #14 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2 | 5050.9 | Semi standard non polar | 33892256 | Grape seed extract,4TMS,isomer #14 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2 | 4657.4 | Standard non polar | 33892256 | Grape seed extract,4TMS,isomer #14 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2 | 6176.0 | Standard polar | 33892256 | Grape seed extract,4TMS,isomer #15 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2 | 5020.3 | Semi standard non polar | 33892256 | Grape seed extract,4TMS,isomer #15 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2 | 4664.2 | Standard non polar | 33892256 | Grape seed extract,4TMS,isomer #15 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2 | 6192.2 | Standard polar | 33892256 | Grape seed extract,4TMS,isomer #16 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C2=C1CC(C)(O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2 | 5195.2 | Semi standard non polar | 33892256 | Grape seed extract,4TMS,isomer #16 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C2=C1CC(C)(O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2 | 4603.2 | Standard non polar | 33892256 | Grape seed extract,4TMS,isomer #16 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C2=C1CC(C)(O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2 | 6073.3 | Standard polar | 33892256 | Grape seed extract,4TMS,isomer #17 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C2=C1CC(C)(O)C(C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2 | 5120.4 | Semi standard non polar | 33892256 | Grape seed extract,4TMS,isomer #17 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C2=C1CC(C)(O)C(C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2 | 4624.5 | Standard non polar | 33892256 | Grape seed extract,4TMS,isomer #17 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C2=C1CC(C)(O)C(C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2 | 6093.7 | Standard polar | 33892256 | Grape seed extract,4TMS,isomer #18 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C2=C1CC(C)(O)C(C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2 | 5093.8 | Semi standard non polar | 33892256 | Grape seed extract,4TMS,isomer #18 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C2=C1CC(C)(O)C(C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2 | 4630.8 | Standard non polar | 33892256 | Grape seed extract,4TMS,isomer #18 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C2=C1CC(C)(O)C(C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2 | 6107.6 | Standard polar | 33892256 | Grape seed extract,4TMS,isomer #19 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C2=C1CC(C)(O[Si](C)(C)C)C(C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2 | 5166.6 | Semi standard non polar | 33892256 | Grape seed extract,4TMS,isomer #19 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C2=C1CC(C)(O[Si](C)(C)C)C(C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2 | 4633.6 | Standard non polar | 33892256 | Grape seed extract,4TMS,isomer #19 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C2=C1CC(C)(O[Si](C)(C)C)C(C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2 | 6146.1 | Standard polar | 33892256 | Grape seed extract,4TMS,isomer #2 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O)C(O)=C1)O2 | 5074.9 | Semi standard non polar | 33892256 | Grape seed extract,4TMS,isomer #2 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O)C(O)=C1)O2 | 4622.5 | Standard non polar | 33892256 | Grape seed extract,4TMS,isomer #2 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O)C(O)=C1)O2 | 6102.6 | Standard polar | 33892256 | Grape seed extract,4TMS,isomer #20 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C2=C1CC(C)(O[Si](C)(C)C)C(C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2 | 5149.2 | Semi standard non polar | 33892256 | Grape seed extract,4TMS,isomer #20 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C2=C1CC(C)(O[Si](C)(C)C)C(C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2 | 4638.6 | Standard non polar | 33892256 | Grape seed extract,4TMS,isomer #20 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C2=C1CC(C)(O[Si](C)(C)C)C(C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2 | 6154.5 | Standard polar | 33892256 | Grape seed extract,4TMS,isomer #21 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2 | 5174.4 | Semi standard non polar | 33892256 | Grape seed extract,4TMS,isomer #21 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2 | 4602.0 | Standard non polar | 33892256 | Grape seed extract,4TMS,isomer #21 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2 | 6076.1 | Standard polar | 33892256 | Grape seed extract,4TMS,isomer #3 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3OC(C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C2=C1CC(C)(O)C(C1=CC=C(O)C(O)=C1)O2 | 5157.5 | Semi standard non polar | 33892256 | Grape seed extract,4TMS,isomer #3 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3OC(C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C2=C1CC(C)(O)C(C1=CC=C(O)C(O)=C1)O2 | 4572.6 | Standard non polar | 33892256 | Grape seed extract,4TMS,isomer #3 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3OC(C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C2=C1CC(C)(O)C(C1=CC=C(O)C(O)=C1)O2 | 6022.8 | Standard polar | 33892256 | Grape seed extract,4TMS,isomer #4 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C2=C1CC(C)(O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2 | 5197.6 | Semi standard non polar | 33892256 | Grape seed extract,4TMS,isomer #4 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C2=C1CC(C)(O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2 | 4590.6 | Standard non polar | 33892256 | Grape seed extract,4TMS,isomer #4 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C2=C1CC(C)(O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2 | 6075.4 | Standard polar | 33892256 | Grape seed extract,4TMS,isomer #5 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2 | 5098.4 | Semi standard non polar | 33892256 | Grape seed extract,4TMS,isomer #5 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2 | 4612.4 | Standard non polar | 33892256 | Grape seed extract,4TMS,isomer #5 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2 | 6092.6 | Standard polar | 33892256 | Grape seed extract,4TMS,isomer #6 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2 | 5072.0 | Semi standard non polar | 33892256 | Grape seed extract,4TMS,isomer #6 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2 | 4617.9 | Standard non polar | 33892256 | Grape seed extract,4TMS,isomer #6 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2 | 6103.8 | Standard polar | 33892256 | Grape seed extract,4TMS,isomer #7 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O)C(O)=C1)O2 | 5180.6 | Semi standard non polar | 33892256 | Grape seed extract,4TMS,isomer #7 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O)C(O)=C1)O2 | 4602.6 | Standard non polar | 33892256 | Grape seed extract,4TMS,isomer #7 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O)C(O)=C1)O2 | 6078.3 | Standard polar | 33892256 | Grape seed extract,4TMS,isomer #8 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)C2=C1CC(C)(O)C(C1=CC=C(O)C(O)=C1)O2 | 5122.2 | Semi standard non polar | 33892256 | Grape seed extract,4TMS,isomer #8 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)C2=C1CC(C)(O)C(C1=CC=C(O)C(O)=C1)O2 | 4622.7 | Standard non polar | 33892256 | Grape seed extract,4TMS,isomer #8 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)C2=C1CC(C)(O)C(C1=CC=C(O)C(O)=C1)O2 | 6093.6 | Standard polar | 33892256 | Grape seed extract,4TMS,isomer #9 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O)C2=C1CC(C)(O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2 | 5171.2 | Semi standard non polar | 33892256 | Grape seed extract,4TMS,isomer #9 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O)C2=C1CC(C)(O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2 | 4632.1 | Standard non polar | 33892256 | Grape seed extract,4TMS,isomer #9 | CC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O)C2=C1CC(C)(O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2 | 6146.6 | Standard polar | 33892256 | Grape seed extract,2TBDMS,isomer #1 | CC1=CC(O[Si](C)(C)C(C)(C)C)=C(C2C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O)C(O)=C1)O2 | 6011.0 | Semi standard non polar | 33892256 | Grape seed extract,2TBDMS,isomer #1 | CC1=CC(O[Si](C)(C)C(C)(C)C)=C(C2C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O)C(O)=C1)O2 | 5042.4 | Standard non polar | 33892256 | Grape seed extract,2TBDMS,isomer #1 | CC1=CC(O[Si](C)(C)C(C)(C)C)=C(C2C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C2=C1CC(C)(O)C(C1=CC=C(O)C(O)=C1)O2 | 6686.7 | Standard polar | 33892256 |
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