Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-11 23:49:42 UTC |
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Update Date | 2022-03-07 02:55:47 UTC |
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HMDB ID | HMDB0038507 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Rheidin A |
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Description | Rheidin A belongs to the class of organic compounds known as anthracenecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an anthracene ring system. Rheidin A has been detected, but not quantified in, green vegetables. This could make rheidin a a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Rheidin A. |
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Structure | CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=C(O)C=C1O)C2C1C2=C(C(O)=CC=C2)C(=O)C2=C1C=C(C=C2O)C(O)=O InChI=1S/C30H20O9/c1-11-5-15-23(17-9-13(31)10-21(35)27(17)29(37)25(15)19(33)6-11)22-14-3-2-4-18(32)24(14)28(36)26-16(22)7-12(30(38)39)8-20(26)34/h2-10,22-23,31-35H,1H3,(H,38,39) |
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Synonyms | Value | Source |
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9,9',10,10'-tetrahydro-2',4,4',5,5'-Pentahydroxy-7'-methyl-10,10'-dioxo-[9,9'-bianthracene]-2-carboxylic acid | HMDB | Reidin a | HMDB | 2',4,4',5,5'-Pentahydroxy-7'-methyl-10,10'-dioxo-9H,9'H,10H,10'H-[9,9'-bianthracene]-2-carboxylate | Generator |
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Chemical Formula | C30H20O9 |
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Average Molecular Weight | 524.4744 |
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Monoisotopic Molecular Weight | 524.110732238 |
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IUPAC Name | 4,5-dihydroxy-10-oxo-9-(2,4,5-trihydroxy-7-methyl-10-oxo-9,10-dihydroanthracen-9-yl)-9,10-dihydroanthracene-2-carboxylic acid |
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Traditional Name | 4,5-dihydroxy-10-oxo-9-(2,4,5-trihydroxy-7-methyl-10-oxo-9H-anthracen-9-yl)-9H-anthracene-2-carboxylic acid |
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CAS Registry Number | Not Available |
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SMILES | CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=C(O)C=C1O)C2C1C2=C(C(O)=CC=C2)C(=O)C2=C1C=C(C=C2O)C(O)=O |
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InChI Identifier | InChI=1S/C30H20O9/c1-11-5-15-23(17-9-13(31)10-21(35)27(17)29(37)25(15)19(33)6-11)22-14-3-2-4-18(32)24(14)28(36)26-16(22)7-12(30(38)39)8-20(26)34/h2-10,22-23,31-35H,1H3,(H,38,39) |
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InChI Key | RRIVQXPGYSPESH-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as anthracenecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an anthracene ring system. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Anthracenes |
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Sub Class | Anthracenecarboxylic acids and derivatives |
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Direct Parent | Anthracenecarboxylic acids |
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Alternative Parents | |
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Substituents | - Anthracene carboxylic acid
- 2-naphthalenecarboxylic acid or derivatives
- 2-naphthalenecarboxylic acid
- Hydroxybenzoic acid
- Aryl ketone
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Vinylogous acid
- Ketone
- Carboxylic acid derivative
- Carboxylic acid
- Polyol
- Monocarboxylic acid or derivatives
- Organic oxygen compound
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- Aromatic homopolycyclic compound
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Molecular Framework | Aromatic homopolycyclic 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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Rheidin A,1TMS,isomer #1 | CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C=C(O)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O)C=C(C(=O)O)C=C43)C2=C1 | 4844.8 | Semi standard non polar | 33892256 | Rheidin A,1TMS,isomer #2 | CC1=CC(O)=C2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O)C=C(C(=O)O)C=C43)C2=C1 | 4922.7 | Semi standard non polar | 33892256 | Rheidin A,1TMS,isomer #3 | CC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O)C=C(C(=O)O)C=C43)C2=C1 | 4844.7 | Semi standard non polar | 33892256 | Rheidin A,1TMS,isomer #4 | CC1=CC(O)=C2C(=O)C3=C(O)C=C(O)C=C3C(C3C4=CC(C(=O)O)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=CC=C43)C2=C1 | 4901.8 | Semi standard non polar | 33892256 | Rheidin A,1TMS,isomer #5 | CC1=CC(O)=C2C(=O)C3=C(O)C=C(O)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C(=O)O)C=C43)C2=C1 | 4831.3 | Semi standard non polar | 33892256 | Rheidin A,1TMS,isomer #6 | CC1=CC(O)=C2C(=O)C3=C(O)C=C(O)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O)C=C(C(=O)O[Si](C)(C)C)C=C43)C2=C1 | 4870.7 | Semi standard non polar | 33892256 | Rheidin A,2TMS,isomer #1 | CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C=C(O)C=C3C(C3C4=CC(C(=O)O)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=CC=C43)C2=C1 | 4730.5 | Semi standard non polar | 33892256 | Rheidin A,2TMS,isomer #10 | CC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3C(C3C4=CC(C(=O)O)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=CC=C43)C2=C1 | 4734.8 | Semi standard non polar | 33892256 | Rheidin A,2TMS,isomer #11 | CC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C(=O)O)C=C43)C2=C1 | 4678.3 | Semi standard non polar | 33892256 | Rheidin A,2TMS,isomer #12 | CC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O)C=C(C(=O)O[Si](C)(C)C)C=C43)C2=C1 | 4666.1 | Semi standard non polar | 33892256 | Rheidin A,2TMS,isomer #13 | CC1=CC(O)=C2C(=O)C3=C(O)C=C(O)C=C3C(C3C4=CC(C(=O)O[Si](C)(C)C)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=CC=C43)C2=C1 | 4713.7 | Semi standard non polar | 33892256 | Rheidin A,2TMS,isomer #14 | CC1=CC(O)=C2C(=O)C3=C(O)C=C(O)C=C3C(C3C4=CC=CC(O[Si](C)(C)C)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C(=O)O)C=C43)C2=C1 | 4756.0 | Semi standard non polar | 33892256 | Rheidin A,2TMS,isomer #15 | CC1=CC(O)=C2C(=O)C3=C(O)C=C(O)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)C=C43)C2=C1 | 4658.8 | Semi standard non polar | 33892256 | Rheidin A,2TMS,isomer #2 | CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C=C(O)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C(=O)O)C=C43)C2=C1 | 4676.7 | Semi standard non polar | 33892256 | Rheidin A,2TMS,isomer #3 | CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C=C(O)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O)C=C(C(=O)O[Si](C)(C)C)C=C43)C2=C1 | 4668.8 | Semi standard non polar | 33892256 | Rheidin A,2TMS,isomer #4 | CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O)C=C(C(=O)O)C=C43)C2=C1 | 4713.8 | Semi standard non polar | 33892256 | Rheidin A,2TMS,isomer #5 | CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O)C=C(C(=O)O)C=C43)C2=C1 | 4709.4 | Semi standard non polar | 33892256 | Rheidin A,2TMS,isomer #6 | CC1=CC(O)=C2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3C(C3C4=CC(C(=O)O)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=CC=C43)C2=C1 | 4754.5 | Semi standard non polar | 33892256 | Rheidin A,2TMS,isomer #7 | CC1=CC(O)=C2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C(=O)O)C=C43)C2=C1 | 4693.3 | Semi standard non polar | 33892256 | Rheidin A,2TMS,isomer #8 | CC1=CC(O)=C2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O)C=C(C(=O)O[Si](C)(C)C)C=C43)C2=C1 | 4727.0 | Semi standard non polar | 33892256 | Rheidin A,2TMS,isomer #9 | CC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O)C=C(C(=O)O)C=C43)C2=C1 | 4700.3 | Semi standard non polar | 33892256 | Rheidin A,3TMS,isomer #1 | CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C=C(O)C=C3C(C3C4=CC(C(=O)O[Si](C)(C)C)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=CC=C43)C2=C1 | 4572.3 | Semi standard non polar | 33892256 | Rheidin A,3TMS,isomer #10 | CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O)C=C(C(=O)O)C=C43)C2=C1 | 4587.8 | Semi standard non polar | 33892256 | Rheidin A,3TMS,isomer #11 | CC1=CC(O)=C2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3C(C3C4=CC(C(=O)O[Si](C)(C)C)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=CC=C43)C2=C1 | 4615.9 | Semi standard non polar | 33892256 | Rheidin A,3TMS,isomer #12 | CC1=CC(O)=C2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3C(C3C4=CC=CC(O[Si](C)(C)C)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C(=O)O)C=C43)C2=C1 | 4631.4 | Semi standard non polar | 33892256 | Rheidin A,3TMS,isomer #13 | CC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3C4=CC(C(=O)O)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=CC=C43)C2=C1 | 4604.6 | Semi standard non polar | 33892256 | Rheidin A,3TMS,isomer #14 | CC1=CC(O)=C2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)C=C43)C2=C1 | 4566.6 | Semi standard non polar | 33892256 | Rheidin A,3TMS,isomer #15 | CC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C(=O)O)C=C43)C2=C1 | 4536.3 | Semi standard non polar | 33892256 | Rheidin A,3TMS,isomer #16 | CC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O)C=C(C(=O)O[Si](C)(C)C)C=C43)C2=C1 | 4572.6 | Semi standard non polar | 33892256 | Rheidin A,3TMS,isomer #17 | CC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3C(C3C4=CC(C(=O)O[Si](C)(C)C)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=CC=C43)C2=C1 | 4572.5 | Semi standard non polar | 33892256 | Rheidin A,3TMS,isomer #18 | CC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3C(C3C4=CC=CC(O[Si](C)(C)C)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C(=O)O)C=C43)C2=C1 | 4614.1 | Semi standard non polar | 33892256 | Rheidin A,3TMS,isomer #19 | CC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)C=C43)C2=C1 | 4519.3 | Semi standard non polar | 33892256 | Rheidin A,3TMS,isomer #2 | CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C=C(O)C=C3C(C3C4=CC=CC(O[Si](C)(C)C)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C(=O)O)C=C43)C2=C1 | 4612.6 | Semi standard non polar | 33892256 | Rheidin A,3TMS,isomer #20 | CC1=CC(O)=C2C(=O)C3=C(O)C=C(O)C=C3C(C3C4=CC=CC(O[Si](C)(C)C)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)C=C43)C2=C1 | 4594.0 | Semi standard non polar | 33892256 | Rheidin A,3TMS,isomer #3 | CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3C(C3C4=CC(C(=O)O)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=CC=C43)C2=C1 | 4615.9 | Semi standard non polar | 33892256 | Rheidin A,3TMS,isomer #4 | CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3C(C3C4=CC(C(=O)O)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=CC=C43)C2=C1 | 4617.7 | Semi standard non polar | 33892256 | Rheidin A,3TMS,isomer #5 | CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C=C(O)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)C=C43)C2=C1 | 4516.7 | Semi standard non polar | 33892256 | Rheidin A,3TMS,isomer #6 | CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C(=O)O)C=C43)C2=C1 | 4550.6 | Semi standard non polar | 33892256 | Rheidin A,3TMS,isomer #7 | CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C(=O)O)C=C43)C2=C1 | 4546.4 | Semi standard non polar | 33892256 | Rheidin A,3TMS,isomer #8 | CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O)C=C(C(=O)O[Si](C)(C)C)C=C43)C2=C1 | 4587.9 | Semi standard non polar | 33892256 | Rheidin A,3TMS,isomer #9 | CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O)C=C(C(=O)O[Si](C)(C)C)C=C43)C2=C1 | 4556.8 | Semi standard non polar | 33892256 | Rheidin A,4TMS,isomer #1 | CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C=C(O)C=C3C(C3C4=CC=CC(O[Si](C)(C)C)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)C=C43)C2=C1 | 4452.7 | Semi standard non polar | 33892256 | Rheidin A,4TMS,isomer #10 | CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O)C=C(C(=O)O[Si](C)(C)C)C=C43)C2=C1 | 4490.1 | Semi standard non polar | 33892256 | Rheidin A,4TMS,isomer #11 | CC1=CC(O)=C2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3C(C3C4=CC=CC(O[Si](C)(C)C)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)C=C43)C2=C1 | 4538.9 | Semi standard non polar | 33892256 | Rheidin A,4TMS,isomer #12 | CC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3C4=CC(C(=O)O[Si](C)(C)C)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=CC=C43)C2=C1 | 4509.8 | Semi standard non polar | 33892256 | Rheidin A,4TMS,isomer #13 | CC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3C4=CC=CC(O[Si](C)(C)C)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C(=O)O)C=C43)C2=C1 | 4500.4 | Semi standard non polar | 33892256 | Rheidin A,4TMS,isomer #14 | CC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)C=C43)C2=C1 | 4450.0 | Semi standard non polar | 33892256 | Rheidin A,4TMS,isomer #15 | CC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3C(C3C4=CC=CC(O[Si](C)(C)C)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)C=C43)C2=C1 | 4463.2 | Semi standard non polar | 33892256 | Rheidin A,4TMS,isomer #2 | CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3C(C3C4=CC(C(=O)O[Si](C)(C)C)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=CC=C43)C2=C1 | 4522.3 | Semi standard non polar | 33892256 | Rheidin A,4TMS,isomer #3 | CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3C(C3C4=CC(C(=O)O[Si](C)(C)C)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=CC=C43)C2=C1 | 4459.0 | Semi standard non polar | 33892256 | Rheidin A,4TMS,isomer #4 | CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3C(C3C4=CC=CC(O[Si](C)(C)C)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C(=O)O)C=C43)C2=C1 | 4501.8 | Semi standard non polar | 33892256 | Rheidin A,4TMS,isomer #5 | CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3C(C3C4=CC=CC(O[Si](C)(C)C)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C(=O)O)C=C43)C2=C1 | 4500.9 | Semi standard non polar | 33892256 | Rheidin A,4TMS,isomer #6 | CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3C4=CC(C(=O)O)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=CC=C43)C2=C1 | 4501.3 | Semi standard non polar | 33892256 | Rheidin A,4TMS,isomer #7 | CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)C=C43)C2=C1 | 4460.5 | Semi standard non polar | 33892256 | Rheidin A,4TMS,isomer #8 | CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)C=C43)C2=C1 | 4405.2 | Semi standard non polar | 33892256 | Rheidin A,4TMS,isomer #9 | CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C(=O)O)C=C43)C2=C1 | 4447.5 | Semi standard non polar | 33892256 | Rheidin A,5TMS,isomer #1 | CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3C(C3C4=CC=CC(O[Si](C)(C)C)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)C=C43)C2=C1 | 4445.8 | Semi standard non polar | 33892256 | Rheidin A,5TMS,isomer #2 | CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3C(C3C4=CC=CC(O[Si](C)(C)C)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)C=C43)C2=C1 | 4379.0 | Semi standard non polar | 33892256 | Rheidin A,5TMS,isomer #3 | CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3C4=CC(C(=O)O[Si](C)(C)C)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=CC=C43)C2=C1 | 4434.1 | Semi standard non polar | 33892256 | Rheidin A,5TMS,isomer #4 | CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3C4=CC=CC(O[Si](C)(C)C)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C(=O)O)C=C43)C2=C1 | 4445.3 | Semi standard non polar | 33892256 | Rheidin A,5TMS,isomer #5 | CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)C=C43)C2=C1 | 4378.3 | Semi standard non polar | 33892256 | Rheidin A,5TMS,isomer #6 | CC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3C4=CC=CC(O[Si](C)(C)C)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)C=C43)C2=C1 | 4432.4 | Semi standard non polar | 33892256 | Rheidin A,1TBDMS,isomer #1 | CC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O)C=C(O)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O)C=C(C(=O)O)C=C43)C2=C1 | 5069.9 | Semi standard non polar | 33892256 | Rheidin A,1TBDMS,isomer #2 | CC1=CC(O)=C2C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O)C=C(C(=O)O)C=C43)C2=C1 | 5100.6 | Semi standard non polar | 33892256 | Rheidin A,1TBDMS,isomer #3 | CC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O)C=C(C(=O)O)C=C43)C2=C1 | 5057.6 | Semi standard non polar | 33892256 | Rheidin A,1TBDMS,isomer #4 | CC1=CC(O)=C2C(=O)C3=C(O)C=C(O)C=C3C(C3C4=CC(C(=O)O)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C43)C2=C1 | 5131.9 | Semi standard non polar | 33892256 | Rheidin A,1TBDMS,isomer #5 | CC1=CC(O)=C2C(=O)C3=C(O)C=C(O)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(C(=O)O)C=C43)C2=C1 | 5053.2 | Semi standard non polar | 33892256 | Rheidin A,1TBDMS,isomer #6 | CC1=CC(O)=C2C(=O)C3=C(O)C=C(O)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O)C=C(C(=O)O[Si](C)(C)C(C)(C)C)C=C43)C2=C1 | 5092.6 | Semi standard non polar | 33892256 | Rheidin A,2TBDMS,isomer #1 | CC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O)C=C(O)C=C3C(C3C4=CC(C(=O)O)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C43)C2=C1 | 5184.9 | Semi standard non polar | 33892256 | Rheidin A,2TBDMS,isomer #10 | CC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3C(C3C4=CC(C(=O)O)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C43)C2=C1 | 5176.8 | Semi standard non polar | 33892256 | Rheidin A,2TBDMS,isomer #11 | CC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(C(=O)O)C=C43)C2=C1 | 5081.5 | Semi standard non polar | 33892256 | Rheidin A,2TBDMS,isomer #12 | CC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O)C=C(C(=O)O[Si](C)(C)C(C)(C)C)C=C43)C2=C1 | 5114.4 | Semi standard non polar | 33892256 | Rheidin A,2TBDMS,isomer #13 | CC1=CC(O)=C2C(=O)C3=C(O)C=C(O)C=C3C(C3C4=CC(C(=O)O[Si](C)(C)C(C)(C)C)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C43)C2=C1 | 5191.7 | Semi standard non polar | 33892256 | Rheidin A,2TBDMS,isomer #14 | CC1=CC(O)=C2C(=O)C3=C(O)C=C(O)C=C3C(C3C4=CC=CC(O[Si](C)(C)C(C)(C)C)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(C(=O)O)C=C43)C2=C1 | 5211.4 | Semi standard non polar | 33892256 | Rheidin A,2TBDMS,isomer #15 | CC1=CC(O)=C2C(=O)C3=C(O)C=C(O)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(C(=O)O[Si](C)(C)C(C)(C)C)C=C43)C2=C1 | 5111.9 | Semi standard non polar | 33892256 | Rheidin A,2TBDMS,isomer #2 | CC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O)C=C(O)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(C(=O)O)C=C43)C2=C1 | 5091.7 | Semi standard non polar | 33892256 | Rheidin A,2TBDMS,isomer #3 | CC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O)C=C(O)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O)C=C(C(=O)O[Si](C)(C)C(C)(C)C)C=C43)C2=C1 | 5120.5 | Semi standard non polar | 33892256 | Rheidin A,2TBDMS,isomer #4 | CC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O)C=C(C(=O)O)C=C43)C2=C1 | 5160.2 | Semi standard non polar | 33892256 | Rheidin A,2TBDMS,isomer #5 | CC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O)C=C(C(=O)O)C=C43)C2=C1 | 5140.5 | Semi standard non polar | 33892256 | Rheidin A,2TBDMS,isomer #6 | CC1=CC(O)=C2C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3C(C3C4=CC(C(=O)O)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C43)C2=C1 | 5224.9 | Semi standard non polar | 33892256 | Rheidin A,2TBDMS,isomer #7 | CC1=CC(O)=C2C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(C(=O)O)C=C43)C2=C1 | 5139.7 | Semi standard non polar | 33892256 | Rheidin A,2TBDMS,isomer #8 | CC1=CC(O)=C2C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O)C=C(C(=O)O[Si](C)(C)C(C)(C)C)C=C43)C2=C1 | 5195.4 | Semi standard non polar | 33892256 | Rheidin A,2TBDMS,isomer #9 | CC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O)C=C(C(=O)O)C=C43)C2=C1 | 5145.4 | Semi standard non polar | 33892256 | Rheidin A,3TBDMS,isomer #1 | CC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O)C=C(O)C=C3C(C3C4=CC(C(=O)O[Si](C)(C)C(C)(C)C)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C43)C2=C1 | 5189.2 | Semi standard non polar | 33892256 | Rheidin A,3TBDMS,isomer #10 | CC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O)C=C(C(=O)O)C=C43)C2=C1 | 5201.2 | Semi standard non polar | 33892256 | Rheidin A,3TBDMS,isomer #11 | CC1=CC(O)=C2C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3C(C3C4=CC(C(=O)O[Si](C)(C)C(C)(C)C)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C43)C2=C1 | 5260.2 | Semi standard non polar | 33892256 | Rheidin A,3TBDMS,isomer #12 | CC1=CC(O)=C2C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3C(C3C4=CC=CC(O[Si](C)(C)C(C)(C)C)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(C(=O)O)C=C43)C2=C1 | 5274.5 | Semi standard non polar | 33892256 | Rheidin A,3TBDMS,isomer #13 | CC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3C(C3C4=CC(C(=O)O)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C43)C2=C1 | 5235.4 | Semi standard non polar | 33892256 | Rheidin A,3TBDMS,isomer #14 | CC1=CC(O)=C2C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(C(=O)O[Si](C)(C)C(C)(C)C)C=C43)C2=C1 | 5175.7 | Semi standard non polar | 33892256 | Rheidin A,3TBDMS,isomer #15 | CC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(C(=O)O)C=C43)C2=C1 | 5140.5 | Semi standard non polar | 33892256 | Rheidin A,3TBDMS,isomer #16 | CC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O)C=C(C(=O)O[Si](C)(C)C(C)(C)C)C=C43)C2=C1 | 5183.7 | Semi standard non polar | 33892256 | Rheidin A,3TBDMS,isomer #17 | CC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3C(C3C4=CC(C(=O)O[Si](C)(C)C(C)(C)C)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C43)C2=C1 | 5191.6 | Semi standard non polar | 33892256 | Rheidin A,3TBDMS,isomer #18 | CC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3C(C3C4=CC=CC(O[Si](C)(C)C(C)(C)C)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(C(=O)O)C=C43)C2=C1 | 5203.2 | Semi standard non polar | 33892256 | Rheidin A,3TBDMS,isomer #19 | CC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(C(=O)O[Si](C)(C)C(C)(C)C)C=C43)C2=C1 | 5105.7 | Semi standard non polar | 33892256 | Rheidin A,3TBDMS,isomer #2 | CC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O)C=C(O)C=C3C(C3C4=CC=CC(O[Si](C)(C)C(C)(C)C)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(C(=O)O)C=C43)C2=C1 | 5203.0 | Semi standard non polar | 33892256 | Rheidin A,3TBDMS,isomer #20 | CC1=CC(O)=C2C(=O)C3=C(O)C=C(O)C=C3C(C3C4=CC=CC(O[Si](C)(C)C(C)(C)C)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(C(=O)O[Si](C)(C)C(C)(C)C)C=C43)C2=C1 | 5218.4 | Semi standard non polar | 33892256 | Rheidin A,3TBDMS,isomer #3 | CC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3C(C3C4=CC(C(=O)O)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C43)C2=C1 | 5249.3 | Semi standard non polar | 33892256 | Rheidin A,3TBDMS,isomer #4 | CC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3C(C3C4=CC(C(=O)O)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C43)C2=C1 | 5217.0 | Semi standard non polar | 33892256 | Rheidin A,3TBDMS,isomer #5 | CC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O)C=C(O)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(C(=O)O[Si](C)(C)C(C)(C)C)C=C43)C2=C1 | 5104.9 | Semi standard non polar | 33892256 | Rheidin A,3TBDMS,isomer #6 | CC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(C(=O)O)C=C43)C2=C1 | 5155.6 | Semi standard non polar | 33892256 | Rheidin A,3TBDMS,isomer #7 | CC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(C(=O)O)C=C43)C2=C1 | 5115.0 | Semi standard non polar | 33892256 | Rheidin A,3TBDMS,isomer #8 | CC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O)C=C(C(=O)O[Si](C)(C)C(C)(C)C)C=C43)C2=C1 | 5206.2 | Semi standard non polar | 33892256 | Rheidin A,3TBDMS,isomer #9 | CC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O)C=C(C(=O)O[Si](C)(C)C(C)(C)C)C=C43)C2=C1 | 5162.8 | Semi standard non polar | 33892256 |
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