| 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 22:26:34 UTC |
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| Update Date | 2022-03-07 02:55:14 UTC |
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| HMDB ID | HMDB0037203 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 5-Methoxy-galloyl-1,4-galactarolactone |
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| Description | 5-Methoxy-galloyl-1,4-galactarolactone belongs to the class of organic compounds known as galloyl esters. These are organic compounds that contain an ester derivative of 3,4,5-trihydroxybenzoic acid. 5-Methoxy-galloyl-1,4-galactarolactone has been detected, but not quantified in, fruits. This could make 5-methoxy-galloyl-1,4-galactarolactone a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 5-Methoxy-galloyl-1,4-galactarolactone. |
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| Structure | COC(=O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C1OC(=O)C(O)C1O InChI=1S/C14H14O11/c1-23-14(22)11(10-8(18)9(19)13(21)24-10)25-12(20)4-2-5(15)7(17)6(16)3-4/h2-3,8-11,15-19H,1H3 |
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| Synonyms | | Value | Source |
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| Methyl 2-(3,4-dihydroxy-5-oxooxolan-2-yl)-2-(3,4,5-trihydroxybenzoyloxy)acetic acid | HMDB |
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| Chemical Formula | C14H14O11 |
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| Average Molecular Weight | 358.2544 |
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| Monoisotopic Molecular Weight | 358.05361129 |
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| IUPAC Name | methyl 2-(3,4-dihydroxy-5-oxooxolan-2-yl)-2-(3,4,5-trihydroxybenzoyloxy)acetate |
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| Traditional Name | methyl 2-(3,4-dihydroxy-5-oxooxolan-2-yl)-2-(3,4,5-trihydroxybenzoyloxy)acetate |
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| CAS Registry Number | Not Available |
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| SMILES | COC(=O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C1OC(=O)C(O)C1O |
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| InChI Identifier | InChI=1S/C14H14O11/c1-23-14(22)11(10-8(18)9(19)13(21)24-10)25-12(20)4-2-5(15)7(17)6(16)3-4/h2-3,8-11,15-19H,1H3 |
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| InChI Key | RQUDYYZIFCIQQF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as galloyl esters. These are organic compounds that contain an ester derivative of 3,4,5-trihydroxybenzoic acid. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Benzene and substituted derivatives |
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| Sub Class | Benzoic acids and derivatives |
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| Direct Parent | Galloyl esters |
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| Alternative Parents | |
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| Substituents | - Galloyl ester
- P-hydroxybenzoic acid alkyl ester
- M-hydroxybenzoic acid ester
- P-hydroxybenzoic acid ester
- Benzoate ester
- Benzenetriol
- Tricarboxylic acid or derivatives
- Pyrogallol derivative
- Benzoyl
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Gamma butyrolactone
- Methyl ester
- Tetrahydrofuran
- Secondary alcohol
- Carboxylic acid ester
- 1,2-diol
- Lactone
- Oxacycle
- Carboxylic acid derivative
- Organoheterocyclic compound
- Polyol
- Carbonyl group
- Organic oxygen compound
- Hydrocarbon derivative
- Alcohol
- Organic oxide
- Organooxygen compound
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic 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 IndicesUnderivatizedDerivatized| Derivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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| 5-Methoxy-galloyl-1,4-galactarolactone,1TMS,isomer #1 | COC(=O)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C1OC(=O)C(O)C1O | 2932.3 | Semi standard non polar | 33892256 | | 5-Methoxy-galloyl-1,4-galactarolactone,1TMS,isomer #2 | COC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C1OC(=O)C(O)C1O | 2990.7 | Semi standard non polar | 33892256 | | 5-Methoxy-galloyl-1,4-galactarolactone,1TMS,isomer #3 | COC(=O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C1OC(=O)C(O[Si](C)(C)C)C1O | 3029.4 | Semi standard non polar | 33892256 | | 5-Methoxy-galloyl-1,4-galactarolactone,1TMS,isomer #4 | COC(=O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C1OC(=O)C(O)C1O[Si](C)(C)C | 3005.8 | Semi standard non polar | 33892256 | | 5-Methoxy-galloyl-1,4-galactarolactone,2TMS,isomer #1 | COC(=O)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)C1OC(=O)C(O)C1O | 2991.1 | Semi standard non polar | 33892256 | | 5-Methoxy-galloyl-1,4-galactarolactone,2TMS,isomer #2 | COC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C1OC(=O)C(O)C1O | 2964.0 | Semi standard non polar | 33892256 | | 5-Methoxy-galloyl-1,4-galactarolactone,2TMS,isomer #3 | COC(=O)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C1OC(=O)C(O[Si](C)(C)C)C1O | 2938.2 | Semi standard non polar | 33892256 | | 5-Methoxy-galloyl-1,4-galactarolactone,2TMS,isomer #4 | COC(=O)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C1OC(=O)C(O)C1O[Si](C)(C)C | 2902.5 | Semi standard non polar | 33892256 | | 5-Methoxy-galloyl-1,4-galactarolactone,2TMS,isomer #5 | COC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C1OC(=O)C(O[Si](C)(C)C)C1O | 3010.8 | Semi standard non polar | 33892256 | | 5-Methoxy-galloyl-1,4-galactarolactone,2TMS,isomer #6 | COC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C1OC(=O)C(O)C1O[Si](C)(C)C | 2981.6 | Semi standard non polar | 33892256 | | 5-Methoxy-galloyl-1,4-galactarolactone,2TMS,isomer #7 | COC(=O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C1OC(=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 3018.8 | Semi standard non polar | 33892256 | | 5-Methoxy-galloyl-1,4-galactarolactone,3TMS,isomer #1 | COC(=O)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C1OC(=O)C(O)C1O | 2948.5 | Semi standard non polar | 33892256 | | 5-Methoxy-galloyl-1,4-galactarolactone,3TMS,isomer #2 | COC(=O)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)C1OC(=O)C(O[Si](C)(C)C)C1O | 3028.1 | Semi standard non polar | 33892256 | | 5-Methoxy-galloyl-1,4-galactarolactone,3TMS,isomer #3 | COC(=O)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)C1OC(=O)C(O)C1O[Si](C)(C)C | 2988.3 | Semi standard non polar | 33892256 | | 5-Methoxy-galloyl-1,4-galactarolactone,3TMS,isomer #4 | COC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C1OC(=O)C(O[Si](C)(C)C)C1O | 2996.6 | Semi standard non polar | 33892256 | | 5-Methoxy-galloyl-1,4-galactarolactone,3TMS,isomer #5 | COC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C1OC(=O)C(O)C1O[Si](C)(C)C | 2953.0 | Semi standard non polar | 33892256 | | 5-Methoxy-galloyl-1,4-galactarolactone,3TMS,isomer #6 | COC(=O)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C1OC(=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 2911.4 | Semi standard non polar | 33892256 | | 5-Methoxy-galloyl-1,4-galactarolactone,3TMS,isomer #7 | COC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C1OC(=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 2982.3 | Semi standard non polar | 33892256 | | 5-Methoxy-galloyl-1,4-galactarolactone,4TMS,isomer #1 | COC(=O)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C1OC(=O)C(O[Si](C)(C)C)C1O | 2996.9 | Semi standard non polar | 33892256 | | 5-Methoxy-galloyl-1,4-galactarolactone,4TMS,isomer #2 | COC(=O)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C1OC(=O)C(O)C1O[Si](C)(C)C | 2946.0 | Semi standard non polar | 33892256 | | 5-Methoxy-galloyl-1,4-galactarolactone,4TMS,isomer #3 | COC(=O)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)C1OC(=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 2990.3 | Semi standard non polar | 33892256 | | 5-Methoxy-galloyl-1,4-galactarolactone,4TMS,isomer #4 | COC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C1OC(=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 2966.9 | Semi standard non polar | 33892256 | | 5-Methoxy-galloyl-1,4-galactarolactone,5TMS,isomer #1 | COC(=O)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C1OC(=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 2973.1 | Semi standard non polar | 33892256 | | 5-Methoxy-galloyl-1,4-galactarolactone,1TBDMS,isomer #1 | COC(=O)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C1OC(=O)C(O)C1O | 3198.5 | Semi standard non polar | 33892256 | | 5-Methoxy-galloyl-1,4-galactarolactone,1TBDMS,isomer #2 | COC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C1OC(=O)C(O)C1O | 3221.7 | Semi standard non polar | 33892256 | | 5-Methoxy-galloyl-1,4-galactarolactone,1TBDMS,isomer #3 | COC(=O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C1OC(=O)C(O[Si](C)(C)C(C)(C)C)C1O | 3289.3 | Semi standard non polar | 33892256 | | 5-Methoxy-galloyl-1,4-galactarolactone,1TBDMS,isomer #4 | COC(=O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C1OC(=O)C(O)C1O[Si](C)(C)C(C)(C)C | 3257.7 | Semi standard non polar | 33892256 | | 5-Methoxy-galloyl-1,4-galactarolactone,2TBDMS,isomer #1 | COC(=O)C(OC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C1OC(=O)C(O)C1O | 3456.4 | Semi standard non polar | 33892256 | | 5-Methoxy-galloyl-1,4-galactarolactone,2TBDMS,isomer #2 | COC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C1OC(=O)C(O)C1O | 3414.3 | Semi standard non polar | 33892256 | | 5-Methoxy-galloyl-1,4-galactarolactone,2TBDMS,isomer #3 | COC(=O)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C1OC(=O)C(O[Si](C)(C)C(C)(C)C)C1O | 3429.3 | Semi standard non polar | 33892256 | | 5-Methoxy-galloyl-1,4-galactarolactone,2TBDMS,isomer #4 | COC(=O)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C1OC(=O)C(O)C1O[Si](C)(C)C(C)(C)C | 3388.7 | Semi standard non polar | 33892256 | | 5-Methoxy-galloyl-1,4-galactarolactone,2TBDMS,isomer #5 | COC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C1OC(=O)C(O[Si](C)(C)C(C)(C)C)C1O | 3481.4 | Semi standard non polar | 33892256 | | 5-Methoxy-galloyl-1,4-galactarolactone,2TBDMS,isomer #6 | COC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C1OC(=O)C(O)C1O[Si](C)(C)C(C)(C)C | 3455.9 | Semi standard non polar | 33892256 | | 5-Methoxy-galloyl-1,4-galactarolactone,2TBDMS,isomer #7 | COC(=O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C1OC(=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C | 3443.8 | Semi standard non polar | 33892256 | | 5-Methoxy-galloyl-1,4-galactarolactone,3TBDMS,isomer #1 | COC(=O)C(OC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C1OC(=O)C(O)C1O | 3603.7 | Semi standard non polar | 33892256 | | 5-Methoxy-galloyl-1,4-galactarolactone,3TBDMS,isomer #2 | COC(=O)C(OC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C1OC(=O)C(O[Si](C)(C)C(C)(C)C)C1O | 3705.7 | Semi standard non polar | 33892256 | | 5-Methoxy-galloyl-1,4-galactarolactone,3TBDMS,isomer #3 | COC(=O)C(OC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C1OC(=O)C(O)C1O[Si](C)(C)C(C)(C)C | 3672.7 | Semi standard non polar | 33892256 | | 5-Methoxy-galloyl-1,4-galactarolactone,3TBDMS,isomer #4 | COC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C1OC(=O)C(O[Si](C)(C)C(C)(C)C)C1O | 3667.3 | Semi standard non polar | 33892256 | | 5-Methoxy-galloyl-1,4-galactarolactone,3TBDMS,isomer #5 | COC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C1OC(=O)C(O)C1O[Si](C)(C)C(C)(C)C | 3632.8 | Semi standard non polar | 33892256 | | 5-Methoxy-galloyl-1,4-galactarolactone,3TBDMS,isomer #6 | COC(=O)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C1OC(=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C | 3599.0 | Semi standard non polar | 33892256 | | 5-Methoxy-galloyl-1,4-galactarolactone,3TBDMS,isomer #7 | COC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C1OC(=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C | 3678.3 | Semi standard non polar | 33892256 | | 5-Methoxy-galloyl-1,4-galactarolactone,4TBDMS,isomer #1 | COC(=O)C(OC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C1OC(=O)C(O[Si](C)(C)C(C)(C)C)C1O | 3830.5 | Semi standard non polar | 33892256 | | 5-Methoxy-galloyl-1,4-galactarolactone,4TBDMS,isomer #2 | COC(=O)C(OC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C1OC(=O)C(O)C1O[Si](C)(C)C(C)(C)C | 3794.3 | Semi standard non polar | 33892256 | | 5-Methoxy-galloyl-1,4-galactarolactone,4TBDMS,isomer #3 | COC(=O)C(OC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C1OC(=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C | 3868.8 | Semi standard non polar | 33892256 | | 5-Methoxy-galloyl-1,4-galactarolactone,4TBDMS,isomer #4 | COC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C1OC(=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C | 3826.1 | Semi standard non polar | 33892256 |
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| GC-MS Spectra| Spectrum Type | Description | Splash Key | Deposition Date | Source | View |
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| Predicted GC-MS | Predicted GC-MS Spectrum - 5-Methoxy-galloyl-1,4-galactarolactone GC-MS (Non-derivatized) - 70eV, Positive | splash10-0fb9-3943000000-53b844b553da363c0ac5 | 2017-09-01 | Wishart Lab | View Spectrum | | Predicted GC-MS | Predicted GC-MS Spectrum - 5-Methoxy-galloyl-1,4-galactarolactone GC-MS (4 TMS) - 70eV, Positive | splash10-001i-8322449000-8287d855b2355cc5e474 | 2017-10-06 | Wishart Lab | View Spectrum | | Predicted GC-MS | Predicted GC-MS Spectrum - 5-Methoxy-galloyl-1,4-galactarolactone GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum |
MS/MS Spectra| Spectrum Type | Description | Splash Key | Deposition Date | Source | View |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Methoxy-galloyl-1,4-galactarolactone 10V, Positive-QTOF | splash10-0pbl-0829000000-ef043ff5144b0a77f394 | 2016-08-03 | Wishart Lab | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Methoxy-galloyl-1,4-galactarolactone 20V, Positive-QTOF | splash10-0ufr-0912000000-bffd7ab8ddaa02c83736 | 2016-08-03 | Wishart Lab | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Methoxy-galloyl-1,4-galactarolactone 40V, Positive-QTOF | splash10-0udi-3910000000-4f365f3951a616f02764 | 2016-08-03 | Wishart Lab | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Methoxy-galloyl-1,4-galactarolactone 10V, Negative-QTOF | splash10-0ap0-2956000000-6d9e7933d256626d4321 | 2016-08-03 | Wishart Lab | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Methoxy-galloyl-1,4-galactarolactone 20V, Negative-QTOF | splash10-014i-0901000000-9697e985c119dbff8e14 | 2016-08-03 | Wishart Lab | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Methoxy-galloyl-1,4-galactarolactone 40V, Negative-QTOF | splash10-016r-2910000000-582dc09ea76d393e6475 | 2016-08-03 | Wishart Lab | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Methoxy-galloyl-1,4-galactarolactone 10V, Negative-QTOF | splash10-0a4i-0379000000-34081d7e5aadbe28b6a3 | 2021-09-24 | Wishart Lab | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Methoxy-galloyl-1,4-galactarolactone 20V, Negative-QTOF | splash10-00or-2940000000-37a0bf06bdd36e86263d | 2021-09-24 | Wishart Lab | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Methoxy-galloyl-1,4-galactarolactone 40V, Negative-QTOF | splash10-016r-1900000000-db912b9dc4ebef0d71f8 | 2021-09-24 | Wishart Lab | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Methoxy-galloyl-1,4-galactarolactone 10V, Positive-QTOF | splash10-0a4r-0916000000-e017d8861bfc9f72bd2c | 2021-09-24 | Wishart Lab | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Methoxy-galloyl-1,4-galactarolactone 20V, Positive-QTOF | splash10-0udi-2943000000-03147418da008afd4a75 | 2021-09-24 | Wishart Lab | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Methoxy-galloyl-1,4-galactarolactone 40V, Positive-QTOF | splash10-0udi-6910000000-f9fd846427003955b32c | 2021-09-24 | Wishart Lab | View Spectrum |
NMR Spectra| Spectrum Type | Description | Deposition Date | Source | View |
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| Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum |
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