Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-12 01:18:46 UTC |
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Update Date | 2022-03-07 02:56:20 UTC |
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HMDB ID | HMDB0039773 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin |
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Description | 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin, also known as 11-α-O-β-D-glucopyranosyl-16α-O-methylneoquassin, belongs to the class of organic compounds known as quassinoids. These are a group of compounds chemically degraded from triterpenes. According to their basic skeleton, quassinoids are categorized into five distinct groups, C-18, C-19, C-20, C-22 and C-25 types. The C-20 quassinoids can be further classified into two types, tetracyclic and the pentacyclic. The tetracyclic variety does not have oxygenation at C-20, while the pentacyclic quassinoids possess additional oxygenation at C-20 that allows for the formation of an additional ring. Based on a literature review a small amount of articles have been published on 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin. |
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Structure | COC1CC2C(C)=C(OC)C(OC3OC(CO)C(O)C(O)C3O)C3C2(C)C(CC2C(C)C=C(OC)C(=O)C32C)O1 InChI=1S/C29H44O11/c1-12-8-16(35-5)26(34)29(4)14(12)9-18-28(3)15(10-19(36-6)39-18)13(2)23(37-7)24(25(28)29)40-27-22(33)21(32)20(31)17(11-30)38-27/h8,12,14-15,17-22,24-25,27,30-33H,9-11H2,1-7H3 |
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Synonyms | Value | Source |
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11-a-O-b-D-Glucopyranosyl-16a-O-methylneoquassin | Generator | 11-Α-O-β-D-glucopyranosyl-16α-O-methylneoquassin | Generator |
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Chemical Formula | C29H44O11 |
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Average Molecular Weight | 568.6531 |
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Monoisotopic Molecular Weight | 568.28836225 |
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IUPAC Name | 4,11,15-trimethoxy-2,6,14,17-tetramethyl-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-4,14-dien-3-one |
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Traditional Name | 4,11,15-trimethoxy-2,6,14,17-tetramethyl-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-4,14-dien-3-one |
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CAS Registry Number | Not Available |
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SMILES | COC1CC2C(C)=C(OC)C(OC3OC(CO)C(O)C(O)C3O)C3C2(C)C(CC2C(C)C=C(OC)C(=O)C32C)O1 |
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InChI Identifier | InChI=1S/C29H44O11/c1-12-8-16(35-5)26(34)29(4)14(12)9-18-28(3)15(10-19(36-6)39-18)13(2)23(37-7)24(25(28)29)40-27-22(33)21(32)20(31)17(11-30)38-27/h8,12,14-15,17-22,24-25,27,30-33H,9-11H2,1-7H3 |
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InChI Key | HVJMGXBLFUQCGE-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as quassinoids. These are a group of compounds chemically degraded from triterpenes. According to their basic skeleton, quassinoids are categorized into five distinct groups, C-18, C-19, C-20, C-22 and C-25 types. The C-20 quassinoids can be further classified into two types, tetracyclic and the pentacyclic. The tetracyclic variety does not have oxygenation at C-20, while the pentacyclic quassinoids possess additional oxygenation at C-20 that allows for the formation of an additional ring. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Prenol lipids |
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Sub Class | Terpene lactones |
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Direct Parent | Quassinoids |
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Alternative Parents | |
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Substituents | - Quassinoid
- Naphthopyran
- Hexose monosaccharide
- Glycosyl compound
- O-glycosyl compound
- Naphthalene
- Cyclohexenone
- Monosaccharide
- Pyran
- Oxane
- Ketone
- Secondary alcohol
- Organoheterocyclic compound
- Oxacycle
- Acetal
- Polyol
- Organooxygen compound
- Alcohol
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Carbonyl group
- Primary alcohol
- Aliphatic heteropolycyclic compound
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Molecular Framework | Aliphatic 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 | |
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Role | |
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Physical Properties |
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State | Solid |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | 200 °C | 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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11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin,1TMS,isomer #1 | COC1=CC(C)C2CC3OC(OC)CC4C(C)=C(OC)C(OC5OC(CO[Si](C)(C)C)C(O)C(O)C5O)C(C2(C)C1=O)C34C | 4006.5 | Semi standard non polar | 33892256 | 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin,1TMS,isomer #2 | COC1=CC(C)C2CC3OC(OC)CC4C(C)=C(OC)C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)C(C2(C)C1=O)C34C | 4003.3 | Semi standard non polar | 33892256 | 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin,1TMS,isomer #3 | COC1=CC(C)C2CC3OC(OC)CC4C(C)=C(OC)C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C(C2(C)C1=O)C34C | 4002.2 | Semi standard non polar | 33892256 | 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin,1TMS,isomer #4 | COC1=CC(C)C2CC3OC(OC)CC4C(C)=C(OC)C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)C(C2(C)C1=O)C34C | 3995.3 | Semi standard non polar | 33892256 | 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin,2TMS,isomer #1 | COC1=CC(C)C2CC3OC(OC)CC4C(C)=C(OC)C(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C5O)C(C2(C)C1=O)C34C | 3938.8 | Semi standard non polar | 33892256 | 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin,2TMS,isomer #2 | COC1=CC(C)C2CC3OC(OC)CC4C(C)=C(OC)C(OC5OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C5O)C(C2(C)C1=O)C34C | 3939.8 | Semi standard non polar | 33892256 | 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin,2TMS,isomer #3 | COC1=CC(C)C2CC3OC(OC)CC4C(C)=C(OC)C(OC5OC(CO[Si](C)(C)C)C(O)C(O)C5O[Si](C)(C)C)C(C2(C)C1=O)C34C | 3933.3 | Semi standard non polar | 33892256 | 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin,2TMS,isomer #4 | COC1=CC(C)C2CC3OC(OC)CC4C(C)=C(OC)C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C(C2(C)C1=O)C34C | 3937.4 | Semi standard non polar | 33892256 | 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin,2TMS,isomer #5 | COC1=CC(C)C2CC3OC(OC)CC4C(C)=C(OC)C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C(C2(C)C1=O)C34C | 3937.3 | Semi standard non polar | 33892256 | 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin,2TMS,isomer #6 | COC1=CC(C)C2CC3OC(OC)CC4C(C)=C(OC)C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(C2(C)C1=O)C34C | 3943.7 | Semi standard non polar | 33892256 | 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin,3TMS,isomer #1 | COC1=CC(C)C2CC3OC(OC)CC4C(C)=C(OC)C(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C(C2(C)C1=O)C34C | 3855.6 | Semi standard non polar | 33892256 | 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin,3TMS,isomer #2 | COC1=CC(C)C2CC3OC(OC)CC4C(C)=C(OC)C(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C(C2(C)C1=O)C34C | 3838.7 | Semi standard non polar | 33892256 | 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin,3TMS,isomer #3 | COC1=CC(C)C2CC3OC(OC)CC4C(C)=C(OC)C(OC5OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(C2(C)C1=O)C34C | 3839.6 | Semi standard non polar | 33892256 | 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin,3TMS,isomer #4 | COC1=CC(C)C2CC3OC(OC)CC4C(C)=C(OC)C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(C2(C)C1=O)C34C | 3848.3 | Semi standard non polar | 33892256 | 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin,4TMS,isomer #1 | COC1=CC(C)C2CC3OC(OC)CC4C(C)=C(OC)C(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(C2(C)C1=O)C34C | 3759.3 | Semi standard non polar | 33892256 | 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin,1TBDMS,isomer #1 | COC1=CC(C)C2CC3OC(OC)CC4C(C)=C(OC)C(OC5OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C5O)C(C2(C)C1=O)C34C | 4197.8 | Semi standard non polar | 33892256 | 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin,1TBDMS,isomer #2 | COC1=CC(C)C2CC3OC(OC)CC4C(C)=C(OC)C(OC5OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C5O)C(C2(C)C1=O)C34C | 4221.3 | Semi standard non polar | 33892256 | 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin,1TBDMS,isomer #3 | COC1=CC(C)C2CC3OC(OC)CC4C(C)=C(OC)C(OC5OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)C(C2(C)C1=O)C34C | 4206.1 | Semi standard non polar | 33892256 | 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin,1TBDMS,isomer #4 | COC1=CC(C)C2CC3OC(OC)CC4C(C)=C(OC)C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C(C)(C)C)C(C2(C)C1=O)C34C | 4211.4 | Semi standard non polar | 33892256 | 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin,2TBDMS,isomer #1 | COC1=CC(C)C2CC3OC(OC)CC4C(C)=C(OC)C(OC5OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C5O)C(C2(C)C1=O)C34C | 4324.3 | Semi standard non polar | 33892256 | 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin,2TBDMS,isomer #2 | COC1=CC(C)C2CC3OC(OC)CC4C(C)=C(OC)C(OC5OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)C(C2(C)C1=O)C34C | 4321.4 | Semi standard non polar | 33892256 | 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin,2TBDMS,isomer #3 | COC1=CC(C)C2CC3OC(OC)CC4C(C)=C(OC)C(OC5OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C5O[Si](C)(C)C(C)(C)C)C(C2(C)C1=O)C34C | 4314.8 | Semi standard non polar | 33892256 | 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin,2TBDMS,isomer #4 | COC1=CC(C)C2CC3OC(OC)CC4C(C)=C(OC)C(OC5OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C5O)C(C2(C)C1=O)C34C | 4336.9 | Semi standard non polar | 33892256 | 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin,2TBDMS,isomer #5 | COC1=CC(C)C2CC3OC(OC)CC4C(C)=C(OC)C(OC5OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C5O[Si](C)(C)C(C)(C)C)C(C2(C)C1=O)C34C | 4340.5 | Semi standard non polar | 33892256 | 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin,2TBDMS,isomer #6 | COC1=CC(C)C2CC3OC(OC)CC4C(C)=C(OC)C(OC5OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C5O[Si](C)(C)C(C)(C)C)C(C2(C)C1=O)C34C | 4342.1 | Semi standard non polar | 33892256 |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin GC-MS (Non-derivatized) - 70eV, Positive | splash10-0f79-8401290000-716a6c93fd4271ab7081 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin GC-MS (1 TMS) - 70eV, Positive | splash10-05br-5732119000-8016de523bb11dafcc37 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin GC-MS ("11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin,1TMS,#1" TMS) - 70eV, Positive | Not Available | 2021-10-14 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin GC-MS (TMS_1_2) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin GC-MS (TMS_1_3) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin GC-MS (TMS_1_4) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin GC-MS (TMS_2_1) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin GC-MS (TMS_2_2) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin GC-MS (TMS_2_3) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin GC-MS (TMS_2_4) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin GC-MS (TMS_2_5) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin GC-MS (TMS_2_6) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin GC-MS (TMS_3_1) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin GC-MS (TMS_3_2) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin GC-MS (TMS_3_3) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin GC-MS (TMS_3_4) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin GC-MS (TMS_4_1) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin GC-MS (TBDMS_1_1) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin GC-MS (TBDMS_1_2) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin GC-MS (TBDMS_1_3) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin GC-MS (TBDMS_1_4) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin GC-MS (TBDMS_2_1) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin GC-MS (TBDMS_2_2) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin GC-MS (TBDMS_2_3) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin GC-MS (TBDMS_2_4) - 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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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin 10V, Positive-QTOF | splash10-0pvr-0106790000-1d50d22df9e2eb7abb33 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin 20V, Positive-QTOF | splash10-0a4j-0109410000-613ae5de06d6cddf06d7 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin 40V, Positive-QTOF | splash10-053g-0129100000-6e8656b78c829617907a | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin 10V, Negative-QTOF | splash10-066r-2201490000-66656b05b9bb909fe2a2 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin 20V, Negative-QTOF | splash10-0a4r-2209650000-6427a9abcca26692b867 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin 40V, Negative-QTOF | splash10-0a4i-9005100000-d414dc18702464dd829a | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin 10V, Positive-QTOF | splash10-0aor-0002970000-5d1beb61a46d7e509f25 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin 20V, Positive-QTOF | splash10-014i-0001390000-fa44c6051102daa901a3 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin 40V, Positive-QTOF | splash10-014i-4101900000-8138118a82395dc12c3f | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin 10V, Negative-QTOF | splash10-014i-0000090000-f4ebc797e6eea1a03b62 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin 20V, Negative-QTOF | splash10-014i-1000290000-d1952b047c8a9012ea86 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin 40V, Negative-QTOF | splash10-0ab9-9008240000-c5d3d11fdf21dba52897 | 2021-09-24 | Wishart Lab | View Spectrum |
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