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 | PAMDB120005 |
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Identification |
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Name: |
betanidin quinone |
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Description: | Not Available |
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Structure |
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Synonyms: | Not Available |
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Chemical Formula: |
C18H12N2O8 |
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Average Molecular Weight: |
384.301 |
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Monoisotopic Molecular
Weight: |
387.08286 |
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InChI Key: |
MCTHLMSFLMEBEK-AAEUAGOBSA-L |
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InChI: | InChI=1S/C18H14N2O8/c21-14-6-9-5-13(18(27)28)20(12(9)7-15(14)22)2-1-8-3-10(16(23)24)19-11(4-8)17(25)26/h1-3,6-7,11,13H,4-5H2,(H3,23,24,25,26,27,28)/p-2/t11-,13-/m0/s1 |
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CAS
number: |
Not Available |
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IUPAC Name: | Not Available |
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Traditional IUPAC Name: |
Not Available |
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SMILES: | C(C=C1(CC(NC(=C1)C(=O)[O-])C([O-])=O))=[N+]2(C(CC3(=CC(C(C=C23)=O)=O))C([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 betalains. These are organic compounds belonging to the class of Betaxanthins or Betacyanins. This class also contains derivatives of betalamic acid, which is the precursor of betalains. |
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Kingdom |
Organic compounds |
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Super Class | Alkaloids and derivatives |
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Class |
Betalains |
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Sub Class | Not Available |
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Direct Parent |
Betalains |
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Alternative Parents |
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Substituents |
- Betalamic acid or derivatives
- Alpha-amino acid
- Alpha-amino acid or derivatives
- Indole or derivatives
- Tricarboxylic acid or derivatives
- Pyrrolidine carboxylic acid
- Pyrrolidine carboxylic acid or derivatives
- Tetrahydropyridine
- Hydropyridine
- Pyrrolidine
- Vinylogous amide
- Cyclic ketone
- Amino acid or derivatives
- Shiff base
- Carboxylic acid salt
- Ketone
- Amino acid
- Organoheterocyclic compound
- Secondary amine
- Carboxylic acid derivative
- Azacycle
- Carboxylic acid
- Secondary aliphatic amine
- Enamine
- Organic salt
- Organic oxygen compound
- Organic oxide
- Organonitrogen compound
- Organooxygen compound
- Hydrocarbon derivative
- Carbonyl group
- Organopnictogen compound
- Organic nitrogen compound
- Amine
- Organic anion
- Aliphatic heteropolycyclic compound
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Molecular Framework |
Aliphatic heteropolycyclic compounds |
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External Descriptors |
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Physical Properties |
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State: |
Not Available |
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Charge: | Not Available |
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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: |
Not Available |
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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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