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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 11:54:54 AM |
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Metabolite ID | PAMDB120425 |
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Identification |
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| Name: |
scopolin |
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| Description: | A member of the class of coumarins that is scopoletin attached to a β-D-glucopyranosyl residue at position 7 via a glycosidic linkage. |
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Structure |
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| Synonyms: | - 7-(beta-D-glucopyranosoyloxy)-6-methoxy-2H-1-benzopyran-2-one
- Scopolin
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Chemical Formula: |
C16H18O9 |
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| Average Molecular Weight: |
354.313 |
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| Monoisotopic Molecular
Weight: |
354.0951 |
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| InChI Key: |
SGTCGCCQZOUMJJ-YMILTQATSA-N |
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| InChI: | InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1 |
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| CAS
number: |
Not Available |
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| IUPAC Name: | 6-methoxy-2-oxo-2H-chromen-7-yl β-D-glucopyranoside |
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Traditional IUPAC Name: |
Not Available |
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| SMILES: | COC2(=CC1(=C(OC(C=C1)=O)C=C2OC3(C(C(C(O)C(CO)O3)O)O))) |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as coumarin glycosides. These are aromatic compounds containing a carbohydrate moiety glycosidically bound to a coumarin moiety. |
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Kingdom |
Organic compounds |
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| Super Class | Phenylpropanoids and polyketides |
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Class |
Coumarins and derivatives |
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| Sub Class | Coumarin glycosides |
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Direct Parent |
Coumarin glycosides |
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| Alternative Parents |
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| Substituents |
- Coumarin-7-o-glycoside
- Coumarin o-glycoside
- Phenolic glycoside
- Hexose monosaccharide
- Glycosyl compound
- O-glycosyl compound
- Benzopyran
- 1-benzopyran
- Anisole
- Alkyl aryl ether
- Pyranone
- Benzenoid
- Monosaccharide
- Oxane
- Pyran
- Heteroaromatic compound
- Secondary alcohol
- Lactone
- Acetal
- Organoheterocyclic compound
- Ether
- Oxacycle
- Polyol
- Organooxygen compound
- Alcohol
- Hydrocarbon derivative
- Organic oxygen compound
- Primary alcohol
- Organic oxide
- Aromatic heteropolycyclic compound
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| Molecular Framework |
Aromatic heteropolycyclic compounds |
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| External Descriptors |
- a small molecule (SCOPOLIN)
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Physical Properties |
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| State: |
Not Available |
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| Charge: | 0 |
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Melting point: |
Not Available |
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| Experimental Properties: |
Not Available |
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| Predicted Properties |
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Biological Properties |
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| Cellular Locations: |
Not Available |
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| Reactions: | |
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Pathways: |
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Spectra |
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| Spectra: |
Not Available |
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References |
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| References: |
- Yuan T, Wan C, González-Sarrías A, Kandhi V, Cech NB, Seeram NP (2011)Phenolic glycosides from sugar maple (Acer saccharum) bark. Journal of natural products 74, Pubmed: 22032697
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| Synthesis Reference: |
Not Available |
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| Material Safety Data Sheet (MSDS) |
Not Available |
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Links |
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| External Links: |
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