Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2021-09-24 10:53:23 UTC |
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Update Date | 2021-09-24 10:53:23 UTC |
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HMDB ID | HMDB0304582 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | hydroxysyringaresinol |
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Description | hydroxysyringaresinol belongs to the class of organic compounds known as hydroxycinnamic acids and derivatives. Hydroxycinnamic acids and derivatives are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated. hydroxysyringaresinol has been detected, but not quantified in, several different foods, such as sorghums (Sorghum bicolor), wild rice (Zizania), corns (Zea mays), spelts (Triticum spelta), and common wheats (Triticum aestivum). This could make hydroxysyringaresinol a potential biomarker for the consumption of these foods. Based on a literature review a small amount of articles have been published on hydroxysyringaresinol. |
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Structure | OCC1OC(O)(C(O)C(O)C1O)C(=O)\C=C\C1=CC(O)=C(O)C=C1 InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23,24-10)11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-14,16-18,20-23H,6H2/b4-2+ |
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Synonyms | Not Available |
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Chemical Formula | C15H18O9 |
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Average Molecular Weight | 342.3 |
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Monoisotopic Molecular Weight | 342.09508216 |
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IUPAC Name | (2E)-3-(3,4-dihydroxyphenyl)-1-[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]prop-2-en-1-one |
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Traditional Name | (2E)-3-(3,4-dihydroxyphenyl)-1-[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]prop-2-en-1-one |
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CAS Registry Number | Not Available |
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SMILES | OCC1OC(O)(C(O)C(O)C1O)C(=O)\C=C\C1=CC(O)=C(O)C=C1 |
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InChI Identifier | InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23,24-10)11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-14,16-18,20-23H,6H2/b4-2+ |
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InChI Key | VCUGMOIFALEVCM-DUXPYHPUSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as hydroxycinnamic acids and derivatives. Hydroxycinnamic acids and derivatives are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated. |
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Kingdom | Organic compounds |
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Super Class | Phenylpropanoids and polyketides |
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Class | Cinnamic acids and derivatives |
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Sub Class | Hydroxycinnamic acids and derivatives |
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Direct Parent | Hydroxycinnamic acids and derivatives |
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Alternative Parents | |
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Substituents | - Hydroxycinnamic acid or derivatives
- Hexose monosaccharide
- Glycosyl compound
- C-glycosyl compound
- Styrene
- Catechol
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- B'-hydroxy-alpha,beta-unsaturated-ketone
- Phenol
- Benzenoid
- Oxane
- Monosaccharide
- Monocyclic benzene moiety
- Alpha,beta-unsaturated ketone
- Enone
- Alpha-hydroxy ketone
- Acryloyl-group
- Secondary alcohol
- Ketone
- Hemiacetal
- Oxacycle
- Organoheterocyclic compound
- Polyol
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Primary alcohol
- Organooxygen compound
- Carbonyl group
- Alcohol
- 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 | Not Available |
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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 | | Show more...
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesNot Available | Show more...
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