Record Information |
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Version | 1.0 |
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Created at | 2021-11-12 23:54:14 UTC |
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Updated at | 2021-11-26 17:46:14 UTC |
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NP-MRD ID | NP0044173 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (2"R)-2"-Hydroxyoleuropein |
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Description | (2''R)-2''-Hydroxyoleuropein belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. (2"R)-2"-Hydroxyoleuropein is found in Fraxinus americana. It was first documented in 2000 (Takenaka, et al.). Based on a literature review very few articles have been published on (2''R)-2''-Hydroxyoleuropein. |
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Structure | COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)\C(=C\C)[C@@H]1CC(=O)OC[C@H](O)C1=CC(O)=C(O)C=C1 InChI=1S/C25H32O14/c1-3-12-13(7-19(30)36-10-17(29)11-4-5-15(27)16(28)6-11)14(23(34)35-2)9-37-24(12)39-25-22(33)21(32)20(31)18(8-26)38-25/h3-6,9,13,17-18,20-22,24-29,31-33H,7-8,10H2,1-2H3/b12-3+/t13-,17-,18+,20+,21-,22+,24-,25-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C25H32O14 |
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Average Mass | 556.5170 Da |
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Monoisotopic Mass | 556.17921 Da |
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IUPAC Name | methyl (2S,3E,4S)-4-{2-[(2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyethoxy]-2-oxoethyl}-3-ethylidene-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate |
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Traditional Name | methyl (4S,5E,6S)-4-{2-[(2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyethoxy]-2-oxoethyl}-5-ethylidene-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylate |
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CAS Registry Number | Not Available |
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SMILES | COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)\C(=C\C)[C@@H]1CC(=O)OC[C@H](O)C1=CC(O)=C(O)C=C1 |
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InChI Identifier | InChI=1S/C25H32O14/c1-3-12-13(7-19(30)36-10-17(29)11-4-5-15(27)16(28)6-11)14(23(34)35-2)9-37-24(12)39-25-22(33)21(32)20(31)18(8-26)38-25/h3-6,9,13,17-18,20-22,24-29,31-33H,7-8,10H2,1-2H3/b12-3+/t13-,17-,18+,20+,21-,22+,24-,25-/m0/s1 |
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InChI Key | WRDXQRMHELNFOK-PPKUYGORSA-N |
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Experimental Spectra |
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| Not Available | Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. |
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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 glycosides |
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Direct Parent | Terpene glycosides |
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Alternative Parents | |
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Substituents | - Terpene glycoside
- Glycosyl compound
- Secoiridoid-skeleton
- O-glycosyl compound
- Aromatic monoterpenoid
- Monocyclic monoterpenoid
- Monoterpenoid
- Catechol
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Sugar acid
- Monocyclic benzene moiety
- Dicarboxylic acid or derivatives
- Monosaccharide
- Benzenoid
- Oxane
- Alpha,beta-unsaturated carboxylic ester
- Methyl ester
- Enoate ester
- Vinylogous ester
- Secondary alcohol
- Carboxylic acid ester
- Polyol
- Acetal
- Organoheterocyclic compound
- Oxacycle
- Carboxylic acid derivative
- Aromatic alcohol
- Organic oxide
- Alcohol
- Hydrocarbon derivative
- Carbonyl group
- Primary alcohol
- Organic oxygen compound
- 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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Physical Properties |
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State | Not Available |
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Experimental 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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Predicted Properties | |
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