| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-06 06:00:25 UTC |
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| Updated at | 2022-09-06 06:00:25 UTC |
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| NP-MRD ID | NP0226844 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | (2e)-n-(2-aminoethyl)-3-{4-[(4e)-5-{4-[3-(furan-3-yl)propyl]furan-2-yl}-4-methylpent-4-en-1-yl]furan-2-yl}-2-methylprop-2-enimidic acid |
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| Description | Hippospongin C belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. Based on a literature review very few articles have been published on Hippospongin C. |
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| Structure | C\C(CCCC1=COC(\C=C(/C)C(O)=NCCN)=C1)=C/C1=CC(CCCC2=COC=C2)=CO1 InChI=1S/C27H34N2O4/c1-20(13-25-15-24(18-32-25)8-4-6-22-9-12-31-17-22)5-3-7-23-16-26(33-19-23)14-21(2)27(30)29-11-10-28/h9,12-19H,3-8,10-11,28H2,1-2H3,(H,29,30)/b20-13+,21-14+ |
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| Synonyms | Not Available |
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| Chemical Formula | C27H34N2O4 |
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| Average Mass | 450.5790 Da |
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| Monoisotopic Mass | 450.25186 Da |
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| IUPAC Name | (2E)-N-(2-aminoethyl)-3-{4-[(4E)-5-{4-[3-(furan-3-yl)propyl]furan-2-yl}-4-methylpent-4-en-1-yl]furan-2-yl}-2-methylprop-2-enimidic acid |
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| Traditional Name | (2E)-N-(2-aminoethyl)-3-{4-[(4E)-5-{4-[3-(furan-3-yl)propyl]furan-2-yl}-4-methylpent-4-en-1-yl]furan-2-yl}-2-methylprop-2-enimidic acid |
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| CAS Registry Number | Not Available |
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| SMILES | C\C(CCCC1=COC(\C=C(/C)C(O)=NCCN)=C1)=C/C1=CC(CCCC2=COC=C2)=CO1 |
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| InChI Identifier | InChI=1S/C27H34N2O4/c1-20(13-25-15-24(18-32-25)8-4-6-22-9-12-31-17-22)5-3-7-23-16-26(33-19-23)14-21(2)27(30)29-11-10-28/h9,12-19H,3-8,10-11,28H2,1-2H3,(H,29,30)/b20-13+,21-14+ |
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| InChI Key | COTCIDNXHCMPCG-KVVJQUGZSA-N |
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| Experimental Spectra |
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| Not Available | | Predicted Spectra |
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| | Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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| 1D NMR | 13C NMR Spectrum (1D, 25 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| | Chemical Shift Submissions |
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| Not Available | | Species |
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| Species of Origin | Not Available |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Heteroaromatic compounds |
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| Sub Class | Not Available |
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| Direct Parent | Heteroaromatic compounds |
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| Alternative Parents | |
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| Substituents | - Furan
- Heteroaromatic compound
- Amino acid or derivatives
- Carboxamide group
- Secondary carboxylic acid amide
- Oxacycle
- Carboxylic acid derivative
- Primary amine
- Organooxygen compound
- Organonitrogen compound
- Primary aliphatic amine
- Organic nitrogen compound
- Amine
- Carbonyl group
- Organic oxygen compound
- Hydrocarbon derivative
- Organic oxide
- 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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