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 17:39:22 UTC |
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Update Date | 2022-03-07 02:52:43 UTC |
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HMDB ID | HMDB0030843 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Apiin |
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Description | Apiin belongs to the class of organic compounds known as phenylnaphthalenes. Phenylnaphthalenes are compounds containing a phenylnaphthalene skeleton, which consists of a naphthalene bound to a phenyl group. Apiin is found, on average, in the highest concentration within a few different foods, such as wild celeries (Apium graveolens), celery leaves (Apium graveolens var. secalinum), and lentils (Lens culinaris). Apiin has also been detected, but not quantified in, several different foods, such as peppers (Capsicum annuum), yellow bell peppers (Capsicum annuum), green bell peppers (Capsicum annuum), pepper (c. frutescens), and orange bell peppers (Capsicum annuum). This could make apiin a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Apiin. |
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Structure | OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O InChI=1S/C26H28O14/c27-8-18-20(32)21(33)22(40-25-23(34)26(35,9-28)10-36-25)24(39-18)37-13-5-14(30)19-15(31)7-16(38-17(19)6-13)11-1-3-12(29)4-2-11/h1-7,18,20-25,27-30,32-35H,8-10H2 |
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Synonyms | Value | Source |
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7-(2-Apiosylglucosyl)apigenin | HMDB | Apigenin 7-O-[beta-D-apiosyl-(1->2)-beta-D-glucoside] | HMDB | Apigenin-7-apioglucoside | HMDB | Apioside | HMDB | Apiin | MeSH | 6''-Acetylapiin | MeSH |
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Chemical Formula | C26H28O14 |
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Average Molecular Weight | 564.4921 |
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Monoisotopic Molecular Weight | 564.147905604 |
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IUPAC Name | 7-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one |
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Traditional Name | 7-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one |
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CAS Registry Number | 26544-34-3 |
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SMILES | OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O |
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InChI Identifier | InChI=1S/C26H28O14/c27-8-18-20(32)21(33)22(40-25-23(34)26(35,9-28)10-36-25)24(39-18)37-13-5-14(30)19-15(31)7-16(38-17(19)6-13)11-1-3-12(29)4-2-11/h1-7,18,20-25,27-30,32-35H,8-10H2 |
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InChI Key | NTDLXWMIWOECHG-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as phenylnaphthalenes. Phenylnaphthalenes are compounds containing a phenylnaphthalene skeleton, which consists of a naphthalene bound to a phenyl group. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Naphthalenes |
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Sub Class | Phenylnaphthalenes |
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Direct Parent | Phenylnaphthalenes |
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Alternative Parents | |
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Substituents | - Phenylnaphthalene
- Phenalen-1-one
- Phenalen
- Aryl ketone
- Monocyclic benzene moiety
- Ketone
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Aromatic homopolycyclic compound
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Molecular Framework | Aromatic homopolycyclic compounds |
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External Descriptors | |
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Ontology |
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Not Available | Not Available |
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Physical Properties |
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State | Solid |
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Experimental Molecular Properties | |
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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 SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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Apiin,1TMS,isomer #1 | C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O | 5193.7 | Semi standard non polar | 33892256 | Apiin,1TMS,isomer #2 | C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2OC2OCC(O)(CO)C2O)=CC2=C1C(=O)C=C(C1=CC=C(O)C=C1)O2 | 5166.6 | Semi standard non polar | 33892256 | Apiin,1TMS,isomer #3 | C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OCC(O)(CO)C4O)C=C3O2)C=C1 | 5202.2 | Semi standard non polar | 33892256 | Apiin,1TMS,isomer #4 | C[Si](C)(C)OC1(CO)COC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(CO)C(O)C2O)C1O | 5247.7 | Semi standard non polar | 33892256 | Apiin,1TMS,isomer #5 | C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(CO)C(O)C2O)C1O | 5187.4 | Semi standard non polar | 33892256 | Apiin,1TMS,isomer #6 | C[Si](C)(C)OC1C(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(CO)C(O)C2O)OCC1(O)CO | 5226.5 | Semi standard non polar | 33892256 | Apiin,1TMS,isomer #7 | C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C1OC1OCC(O)(CO)C1O | 5201.0 | Semi standard non polar | 33892256 | Apiin,1TMS,isomer #8 | C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(O)(CO)C2O)C1O | 5190.0 | Semi standard non polar | 33892256 | Apiin,2TMS,isomer #1 | C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O | 5081.5 | Semi standard non polar | 33892256 | Apiin,2TMS,isomer #10 | C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2OC2OCC(CO)(O[Si](C)(C)C)C2O)=CC2=C1C(=O)C=C(C1=CC=C(O)C=C1)O2 | 5081.4 | Semi standard non polar | 33892256 | Apiin,2TMS,isomer #11 | C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(CO)C(O)C2O)C1O | 5033.9 | Semi standard non polar | 33892256 | Apiin,2TMS,isomer #12 | C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2OC2OCC(O)(CO)C2O[Si](C)(C)C)=CC2=C1C(=O)C=C(C1=CC=C(O)C=C1)O2 | 5091.2 | Semi standard non polar | 33892256 | Apiin,2TMS,isomer #13 | C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O)C(O)C4OC4OCC(O)(CO)C4O)C=C3O2)C=C1 | 5066.4 | Semi standard non polar | 33892256 | Apiin,2TMS,isomer #14 | C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OCC(O)(CO)C4O)C=C3O2)C=C1 | 5087.5 | Semi standard non polar | 33892256 | Apiin,2TMS,isomer #15 | C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OCC(O)(CO)C4O)C=C3O2)C=C1 | 5109.6 | Semi standard non polar | 33892256 | Apiin,2TMS,isomer #16 | C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OCC(CO)(O[Si](C)(C)C)C4O)C=C3O2)C=C1 | 5115.8 | Semi standard non polar | 33892256 | Apiin,2TMS,isomer #17 | C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(CO)C(O)C2O)C1O | 5063.8 | Semi standard non polar | 33892256 | Apiin,2TMS,isomer #18 | C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OCC(O)(CO)C4O[Si](C)(C)C)C=C3O2)C=C1 | 5114.2 | Semi standard non polar | 33892256 | Apiin,2TMS,isomer #19 | C[Si](C)(C)OCC1(O[Si](C)(C)C)COC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(CO)C(O)C2O)C1O | 5151.5 | Semi standard non polar | 33892256 | Apiin,2TMS,isomer #2 | C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O | 5105.2 | Semi standard non polar | 33892256 | Apiin,2TMS,isomer #20 | C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O)C1O | 5120.7 | Semi standard non polar | 33892256 | Apiin,2TMS,isomer #21 | C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C1OC1OCC(CO)(O[Si](C)(C)C)C1O | 5135.5 | Semi standard non polar | 33892256 | Apiin,2TMS,isomer #22 | C[Si](C)(C)OC1C(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(CO)C(O)C2O)OCC1(CO)O[Si](C)(C)C | 5153.9 | Semi standard non polar | 33892256 | Apiin,2TMS,isomer #23 | C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(CO)C(O[Si](C)(C)C)C2O)C1O | 5070.5 | Semi standard non polar | 33892256 | Apiin,2TMS,isomer #24 | C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(CO)C(O)C2O[Si](C)(C)C)C1O | 5088.9 | Semi standard non polar | 33892256 | Apiin,2TMS,isomer #25 | C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(CO)C(O)C2O)C1O[Si](C)(C)C | 5118.4 | Semi standard non polar | 33892256 | Apiin,2TMS,isomer #26 | C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C)C1O | 5121.0 | Semi standard non polar | 33892256 | Apiin,2TMS,isomer #27 | C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C1OC1OCC(O)(CO)C1O[Si](C)(C)C | 5135.8 | Semi standard non polar | 33892256 | Apiin,2TMS,isomer #28 | C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(O)(CO)C2O)C1O[Si](C)(C)C | 5113.6 | Semi standard non polar | 33892256 | Apiin,2TMS,isomer #3 | C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C1O | 5128.7 | Semi standard non polar | 33892256 | Apiin,2TMS,isomer #4 | C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C1O | 5088.8 | Semi standard non polar | 33892256 | Apiin,2TMS,isomer #5 | C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C1O | 5127.3 | Semi standard non polar | 33892256 | Apiin,2TMS,isomer #6 | C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C1O | 5116.6 | Semi standard non polar | 33892256 | Apiin,2TMS,isomer #7 | C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O[Si](C)(C)C | 5115.4 | Semi standard non polar | 33892256 | Apiin,2TMS,isomer #8 | C[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2OC2OCC(O)(CO)C2O)=CC2=C1C(=O)C=C(C1=CC=C(O)C=C1)O2 | 5062.2 | Semi standard non polar | 33892256 | Apiin,2TMS,isomer #9 | C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2OC2OCC(O)(CO)C2O)=CC2=C1C(=O)C=C(C1=CC=C(O)C=C1)O2 | 5077.4 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #1 | C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O | 4956.2 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #10 | C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(OC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C1O | 4984.9 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #11 | C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O[Si](C)(C)C | 4989.7 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #12 | C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O)C1O | 5008.8 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #13 | C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O | 5006.3 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #14 | C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O | 4994.7 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #15 | C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C | 5015.9 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #16 | C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O | 4974.9 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #17 | C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(O)(CO[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O | 4946.7 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #18 | C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C | 4962.7 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #19 | C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O | 4989.7 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #2 | C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C1O | 4958.9 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #20 | C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C | 5010.3 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #21 | C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4998.8 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #22 | C[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC2OCC(O)(CO)C2O)=CC2=C1C(=O)C=C(C1=CC=C(O)C=C1)O2 | 4928.0 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #23 | C[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2OC2OCC(CO)(O[Si](C)(C)C)C2O)=CC2=C1C(=O)C=C(C1=CC=C(O)C=C1)O2 | 4942.0 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #24 | C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(CO)C(O[Si](C)(C)C)C2O)C1O | 4891.0 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #25 | C[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2OC2OCC(O)(CO)C2O[Si](C)(C)C)=CC2=C1C(=O)C=C(C1=CC=C(O)C=C1)O2 | 4941.5 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #26 | C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OCC(O)(CO)C4O)C=C3O2)C=C1 | 4935.9 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #27 | C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2OC2OCC(CO)(O[Si](C)(C)C)C2O)=CC2=C1C(=O)C=C(C1=CC=C(O)C=C1)O2 | 4952.2 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #28 | C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(CO)C(O)C2O[Si](C)(C)C)C1O | 4893.8 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #29 | C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2OC2OCC(O)(CO)C2O[Si](C)(C)C)=CC2=C1C(=O)C=C(C1=CC=C(O)C=C1)O2 | 4940.5 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #3 | C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C1O | 4910.3 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #30 | C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OCC(O)(CO)C4O)C=C3O2)C=C1 | 4945.1 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #31 | C[Si](C)(C)OCC1(O[Si](C)(C)C)COC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(CO)C(O)C2O)C1O | 4950.9 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #32 | C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2OC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC2=C1C(=O)C=C(C1=CC=C(O)C=C1)O2 | 4963.0 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #33 | C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O)C(O)C4OC4OCC(CO)(O[Si](C)(C)C)C4O)C=C3O2)C=C1 | 4948.0 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #34 | C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(CO)C(O)C2O)C1O | 4896.1 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #35 | C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(CO)C(O)C2O)C1O[Si](C)(C)C | 4912.2 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #36 | C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O)C(O)C4OC4OCC(O)(CO)C4O[Si](C)(C)C)C=C3O2)C=C1 | 4953.9 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #37 | C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OCC(O)(CO)C4O)C=C3O2)C=C1 | 4967.5 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #38 | C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OCC(CO)(O[Si](C)(C)C)C4O)C=C3O2)C=C1 | 4976.9 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #39 | C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(CO)C(O[Si](C)(C)C)C2O)C1O | 4925.3 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #4 | C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C1O | 4958.8 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #40 | C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OCC(O)(CO)C4O[Si](C)(C)C)C=C3O2)C=C1 | 4981.8 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #41 | C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OCC(CO)(O[Si](C)(C)C)C4O)C=C3O2)C=C1 | 4987.4 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #42 | C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(CO)C(O)C2O[Si](C)(C)C)C1O | 4929.2 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #43 | C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OCC(O)(CO)C4O[Si](C)(C)C)C=C3O2)C=C1 | 4987.2 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #44 | C[Si](C)(C)OCC1(O[Si](C)(C)C)COC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(CO)C(O)C2O)C1O | 4975.8 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #45 | C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OCC(CO)(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1 | 4999.7 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #46 | C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(CO)C(O)C2O)C1O[Si](C)(C)C | 4948.9 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #47 | C[Si](C)(C)OCC1(O[Si](C)(C)C)COC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(CO)C(O[Si](C)(C)C)C2O)C1O | 4992.5 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #48 | C[Si](C)(C)OCC1(O[Si](C)(C)C)COC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(CO)C(O)C2O[Si](C)(C)C)C1O | 4996.4 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #49 | C[Si](C)(C)OCC1(O[Si](C)(C)C)COC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(CO)C(O)C2O)C1O[Si](C)(C)C | 4996.6 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #5 | C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C1O | 4952.0 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #50 | C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O | 4991.0 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #51 | C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O)C1O[Si](C)(C)C | 4981.5 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #52 | C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C1OC1OCC(CO)(O[Si](C)(C)C)C1O[Si](C)(C)C | 4993.3 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #53 | C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O | 4917.3 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #54 | C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(CO)C(O[Si](C)(C)C)C2O)C1O[Si](C)(C)C | 4960.4 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #55 | C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(CO)C(O)C2O[Si](C)(C)C)C1O[Si](C)(C)C | 4959.1 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #56 | C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C)C1O[Si](C)(C)C | 4967.1 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #6 | C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O[Si](C)(C)C | 4964.4 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #7 | C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C1O | 4987.7 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #8 | C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(OC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C1O | 4940.2 | Semi standard non polar | 33892256 | Apiin,3TMS,isomer #9 | C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C1O | 4996.0 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #1 | C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C1O | 4844.6 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #10 | C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O | 4797.7 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #11 | C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(O)(CO[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O | 4781.4 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #12 | C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C | 4797.0 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #13 | C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O | 4823.6 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #14 | C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C | 4840.6 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #15 | C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4844.3 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #16 | C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(OC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O)C1O | 4872.1 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #17 | C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O | 4896.7 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #18 | C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O | 4874.1 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #19 | C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C | 4889.8 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #2 | C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(OC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C1O | 4794.0 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #20 | C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(OC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O | 4845.8 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #21 | C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(OC2OCC(O)(CO[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O | 4820.8 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #22 | C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(OC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C | 4835.6 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #23 | C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O | 4871.4 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #24 | C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C | 4889.5 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #25 | C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(OC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4884.7 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #26 | C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O | 4905.6 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #27 | C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O | 4884.9 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #28 | C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C | 4910.0 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #29 | C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O | 4894.8 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #3 | C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C1O | 4846.0 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #30 | C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C | 4917.9 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #31 | C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4913.8 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #32 | C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O | 4838.8 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #33 | C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C | 4868.4 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #34 | C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(O)(CO[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4844.6 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #35 | C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4893.7 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #36 | C[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC2OCC(CO)(O[Si](C)(C)C)C2O)=CC2=C1C(=O)C=C(C1=CC=C(O)C=C1)O2 | 4809.7 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #37 | C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O | 4747.8 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #38 | C[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC2OCC(O)(CO)C2O[Si](C)(C)C)=CC2=C1C(=O)C=C(C1=CC=C(O)C=C1)O2 | 4789.0 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #39 | C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OCC(O)(CO)C4O)C=C3O2)C=C1 | 4808.9 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #4 | C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(OC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C1O | 4840.6 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #40 | C[Si](C)(C)OCC1(O[Si](C)(C)C)COC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(CO)C(O[Si](C)(C)C)C2O)C1O | 4798.9 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #41 | C[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2OC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC2=C1C(=O)C=C(C1=CC=C(O)C=C1)O2 | 4820.3 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #42 | C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OCC(CO)(O[Si](C)(C)C)C4O)C=C3O2)C=C1 | 4830.7 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #43 | C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(CO)C(O[Si](C)(C)C)C2O)C1O | 4772.5 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #44 | C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(CO)C(O[Si](C)(C)C)C2O)C1O[Si](C)(C)C | 4754.5 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #45 | C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OCC(O)(CO)C4O[Si](C)(C)C)C=C3O2)C=C1 | 4814.1 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #46 | C[Si](C)(C)OCC1(O[Si](C)(C)C)COC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(CO)C(O)C2O[Si](C)(C)C)C1O | 4800.3 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #47 | C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2OC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC2=C1C(=O)C=C(C1=CC=C(O)C=C1)O2 | 4820.6 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #48 | C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OCC(CO)(O[Si](C)(C)C)C4O)C=C3O2)C=C1 | 4827.3 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #49 | C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(CO)C(O)C2O[Si](C)(C)C)C1O | 4775.5 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #5 | C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O[Si](C)(C)C | 4844.8 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #50 | C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(CO)C(O)C2O[Si](C)(C)C)C1O[Si](C)(C)C | 4753.5 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #51 | C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OCC(O)(CO)C4O[Si](C)(C)C)C=C3O2)C=C1 | 4817.0 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #52 | C[Si](C)(C)OCC1(O[Si](C)(C)C)COC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(CO)C(O)C2O)C1O | 4808.4 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #53 | C[Si](C)(C)OCC1(O[Si](C)(C)C)COC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(CO)C(O)C2O)C1O[Si](C)(C)C | 4827.9 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #54 | C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O)C(O)C4OC4OCC(CO)(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1 | 4847.4 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #55 | C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(CO)C(O)C2O)C1O[Si](C)(C)C | 4780.1 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #56 | C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OCC(CO)(O[Si](C)(C)C)C4O)C=C3O2)C=C1 | 4854.7 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #57 | C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O | 4788.5 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #58 | C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OCC(O)(CO)C4O[Si](C)(C)C)C=C3O2)C=C1 | 4841.5 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #59 | C[Si](C)(C)OCC1(O[Si](C)(C)C)COC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(CO)C(O[Si](C)(C)C)C2O)C1O | 4840.3 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #6 | C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O)C1O | 4838.9 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #60 | C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OCC(CO)(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1 | 4872.4 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #61 | C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(CO)C(O[Si](C)(C)C)C2O)C1O[Si](C)(C)C | 4810.9 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #62 | C[Si](C)(C)OCC1(O[Si](C)(C)C)COC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(CO)C(O)C2O[Si](C)(C)C)C1O | 4838.1 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #63 | C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OCC(CO)(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1 | 4869.4 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #64 | C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(CO)C(O)C2O[Si](C)(C)C)C1O[Si](C)(C)C | 4809.0 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #65 | C[Si](C)(C)OCC1(O[Si](C)(C)C)COC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(CO)C(O)C2O)C1O[Si](C)(C)C | 4867.3 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #66 | C[Si](C)(C)OCC1(O[Si](C)(C)C)COC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O | 4849.2 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #67 | C[Si](C)(C)OCC1(O[Si](C)(C)C)COC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(CO)C(O[Si](C)(C)C)C2O)C1O[Si](C)(C)C | 4864.4 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #68 | C[Si](C)(C)OCC1(O[Si](C)(C)C)COC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(CO)C(O)C2O[Si](C)(C)C)C1O[Si](C)(C)C | 4865.6 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #69 | C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O[Si](C)(C)C | 4860.7 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #7 | C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O | 4855.2 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #70 | C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O[Si](C)(C)C | 4800.3 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #8 | C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O | 4840.4 | Semi standard non polar | 33892256 | Apiin,4TMS,isomer #9 | C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C | 4852.6 | Semi standard non polar | 33892256 | Apiin,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O | 5425.7 | Semi standard non polar | 33892256 | Apiin,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2OC2OCC(O)(CO)C2O)=CC2=C1C(=O)C=C(C1=CC=C(O)C=C1)O2 | 5387.7 | Semi standard non polar | 33892256 | Apiin,1TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OCC(O)(CO)C4O)C=C3O2)C=C1 | 5413.5 | Semi standard non polar | 33892256 | Apiin,1TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC1(CO)COC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(CO)C(O)C2O)C1O | 5476.2 | Semi standard non polar | 33892256 | Apiin,1TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(CO)C(O)C2O)C1O | 5418.0 | Semi standard non polar | 33892256 | Apiin,1TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OC1C(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(CO)C(O)C2O)OCC1(O)CO | 5466.3 | Semi standard non polar | 33892256 | Apiin,1TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C1OC1OCC(O)(CO)C1O | 5456.4 | Semi standard non polar | 33892256 | Apiin,1TBDMS,isomer #8 | CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(O)(CO)C2O)C1O | 5444.7 | Semi standard non polar | 33892256 | Apiin,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O | 5479.2 | Semi standard non polar | 33892256 | Apiin,2TBDMS,isomer #10 | CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2OC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)=CC2=C1C(=O)C=C(C1=CC=C(O)C=C1)O2 | 5492.7 | Semi standard non polar | 33892256 | Apiin,2TBDMS,isomer #11 | CC(C)(C)[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC(O[Si](C)(C)C(C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(CO)C(O)C2O)C1O | 5451.3 | Semi standard non polar | 33892256 | Apiin,2TBDMS,isomer #12 | CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2OC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C=C(C1=CC=C(O)C=C1)O2 | 5483.1 | Semi standard non polar | 33892256 | Apiin,2TBDMS,isomer #13 | CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(CO)C(O)C(O)C4OC4OCC(O)(CO)C4O)C=C3O2)C=C1 | 5487.4 | Semi standard non polar | 33892256 | Apiin,2TBDMS,isomer #14 | CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4OC4OCC(O)(CO)C4O)C=C3O2)C=C1 | 5504.8 | Semi standard non polar | 33892256 | Apiin,2TBDMS,isomer #15 | CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4OC4OCC(O)(CO)C4O)C=C3O2)C=C1 | 5519.0 | Semi standard non polar | 33892256 | Apiin,2TBDMS,isomer #16 | CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OCC(CO)(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C1 | 5525.4 | Semi standard non polar | 33892256 | Apiin,2TBDMS,isomer #17 | CC(C)(C)[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C(C)(C)C)C=C5)OC4=C3)OC(CO)C(O)C2O)C1O | 5484.0 | Semi standard non polar | 33892256 | Apiin,2TBDMS,isomer #18 | CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OCC(O)(CO)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1 | 5514.7 | Semi standard non polar | 33892256 | Apiin,2TBDMS,isomer #19 | CC(C)(C)[Si](C)(C)OCC1(O[Si](C)(C)C(C)(C)C)COC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(CO)C(O)C2O)C1O | 5519.4 | Semi standard non polar | 33892256 | Apiin,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC3=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O | 5508.5 | Semi standard non polar | 33892256 | Apiin,2TBDMS,isomer #20 | CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C1O | 5528.6 | Semi standard non polar | 33892256 | Apiin,2TBDMS,isomer #21 | CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C1OC1OCC(CO)(O[Si](C)(C)C(C)(C)C)C1O | 5539.5 | Semi standard non polar | 33892256 | Apiin,2TBDMS,isomer #22 | CC(C)(C)[Si](C)(C)OC1C(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(CO)C(O)C2O)OCC1(CO)O[Si](C)(C)C(C)(C)C | 5539.8 | Semi standard non polar | 33892256 | Apiin,2TBDMS,isomer #23 | CC(C)(C)[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C1O | 5476.0 | Semi standard non polar | 33892256 | Apiin,2TBDMS,isomer #24 | CC(C)(C)[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C1O | 5486.1 | Semi standard non polar | 33892256 | Apiin,2TBDMS,isomer #25 | CC(C)(C)[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(CO)C(O)C2O)C1O[Si](C)(C)C(C)(C)C | 5501.1 | Semi standard non polar | 33892256 | Apiin,2TBDMS,isomer #26 | CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C1O | 5515.0 | Semi standard non polar | 33892256 | Apiin,2TBDMS,isomer #27 | CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C1OC1OCC(O)(CO)C1O[Si](C)(C)C(C)(C)C | 5524.5 | Semi standard non polar | 33892256 | Apiin,2TBDMS,isomer #28 | CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(O)(CO)C2O)C1O[Si](C)(C)C(C)(C)C | 5509.9 | Semi standard non polar | 33892256 | Apiin,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O | 5516.8 | Semi standard non polar | 33892256 | Apiin,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O)C(O)C1O | 5480.4 | Semi standard non polar | 33892256 | Apiin,2TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C(O)C1O | 5517.3 | Semi standard non polar | 33892256 | Apiin,2TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(O)(CO)C2O)C(O[Si](C)(C)C(C)(C)C)C1O | 5516.4 | Semi standard non polar | 33892256 | Apiin,2TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O[Si](C)(C)C(C)(C)C | 5516.2 | Semi standard non polar | 33892256 | Apiin,2TBDMS,isomer #8 | CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2OC2OCC(O)(CO)C2O)=CC2=C1C(=O)C=C(C1=CC=C(O)C=C1)O2 | 5475.4 | Semi standard non polar | 33892256 | Apiin,2TBDMS,isomer #9 | CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2OC2OCC(O)(CO)C2O)=CC2=C1C(=O)C=C(C1=CC=C(O)C=C1)O2 | 5487.4 | Semi standard non polar | 33892256 |
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Spectra |
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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 - Apiin GC-MS (Non-derivatized) - 70eV, Positive | splash10-007k-7230390000-be49fba592c5fd103da4 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiin GC-MS (1 TMS) - 70eV, Positive | splash10-00di-9201006000-59afb33788ee043a12c6 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiin GC-MS ("Apiin,1TMS,#1" TMS) - 70eV, Positive | Not Available | 2021-10-14 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiin GC-MS (TMS_1_2) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiin GC-MS (TMS_1_3) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiin GC-MS (TMS_1_4) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiin GC-MS (TMS_1_5) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiin GC-MS (TMS_1_6) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiin GC-MS (TMS_1_7) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiin GC-MS (TMS_1_8) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiin GC-MS (TMS_2_1) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiin GC-MS (TMS_2_2) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiin GC-MS (TMS_2_3) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiin GC-MS (TMS_2_4) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiin GC-MS (TMS_2_5) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiin GC-MS (TMS_2_6) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiin GC-MS (TMS_2_7) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiin GC-MS (TMS_2_8) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiin GC-MS (TMS_2_9) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiin GC-MS (TMS_2_10) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiin GC-MS (TMS_2_11) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiin GC-MS (TMS_2_12) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiin GC-MS (TMS_2_13) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiin GC-MS (TMS_2_14) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiin GC-MS (TMS_2_15) - 70eV, Positive | Not Available | 2021-10-15 | 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 - Apiin LC-ESI-TOF , negative-QTOF | splash10-03di-0000090000-a04baa45f6225c583e5a | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Apiin LC-ESI-TOF , negative-QTOF | splash10-03xr-0070090000-8047ba073b20f04775e5 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Apiin LC-ESI-TOF , negative-QTOF | splash10-03di-0010090000-3283a550fcfc4f7b1877 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Apiin LC-ESI-TOF , negative-QTOF | splash10-014i-0090000000-32a8d5bcc2b85a74a155 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Apiin LC-ESI-TOF , negative-QTOF | splash10-014i-0090000000-452bbd1db4fb12108bd7 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Apiin , negative-QTOF | splash10-03xr-0060090000-c0b0d4fb68cc8ede7652 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Apiin , negative-QTOF | splash10-03xr-0060090000-44d379b45665fc246c51 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Apiin , positive-QTOF | splash10-00di-0090000000-0c52a790f84a5eb190a6 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Apiin 6V, Negative-QTOF | splash10-014i-0090000000-fabbf06e73fd06941e68 | 2021-09-20 | HMDB team, MONA | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Apiin 10V, Positive-QTOF | splash10-00yi-0290850000-b9c4cdaeda23f6195e6f | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Apiin 20V, Positive-QTOF | splash10-00di-0190300000-1dc666cd96fc2b760a46 | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Apiin 40V, Positive-QTOF | splash10-00di-1290100000-84adfe1b3fe469a1cd73 | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Apiin 10V, Negative-QTOF | splash10-02u0-0451690000-6d33673ba45c4b2dd891 | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Apiin 20V, Negative-QTOF | splash10-014i-1791420000-f60f5bcddb17587b8e43 | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Apiin 40V, Negative-QTOF | splash10-014i-3980000000-e9e35d8b0c0fef1b4310 | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Apiin 10V, Positive-QTOF | splash10-00xr-0090040000-faef2699c3f8cb00e923 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Apiin 20V, Positive-QTOF | splash10-00f0-0090910000-5126907d8e8ecaed99be | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Apiin 40V, Positive-QTOF | splash10-00di-0090000000-60b322ff74af8a765580 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Apiin 10V, Negative-QTOF | splash10-03di-0000190000-5b9a8f7267b5cf79ab43 | 2021-09-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Apiin 20V, Negative-QTOF | splash10-03yi-0050790000-47c087ab880d27579898 | 2021-09-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Apiin 40V, Negative-QTOF | splash10-014i-0090010000-4e7c2ee3f7906a80ca74 | 2021-09-25 | 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) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum |
| Show more...
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Biological Properties |
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Cellular Locations | |
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Biospecimen Locations | Not Available |
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Tissue Locations | Not Available |
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Pathways | |
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Normal Concentrations |
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| Not Available |
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Abnormal Concentrations |
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| Not Available |
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Associated Disorders and Diseases |
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Disease References | None |
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Associated OMIM IDs | None |
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External Links |
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DrugBank ID | Not Available |
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Phenol Explorer Compound ID | Not Available |
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FooDB ID | FDB002801 |
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KNApSAcK ID | C00001019 |
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Chemspider ID | 4718769 |
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KEGG Compound ID | C04858 |
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BioCyc ID | Not Available |
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BiGG ID | Not Available |
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Wikipedia Link | Apiin |
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METLIN ID | Not Available |
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PubChem Compound | 5840046 |
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PDB ID | Not Available |
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ChEBI ID | 15932 |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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MarkerDB ID | Not Available |
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Good Scents ID | rw1588401 |
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References |
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Synthesis Reference | Not Available |
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Material Safety Data Sheet (MSDS) | Not Available |
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General References | - (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
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