| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:30 UTC |
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| Update Date | 2025-03-25 00:55:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02214093 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H26N2O6S |
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| Molecular Mass | 422.1512 |
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| SMILES | CCCN(CCC)S(=O)(=O)c1ccc2c(N(CC(=O)O)CC(=O)O)cccc2c1 |
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| InChI Key | VPRHHSZETXFXFJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | naphthalenes |
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| Subclass | naphthalene sulfonic acids and derivatives |
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| Direct Parent | 2-naphthalene sulfonamides |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | 2-naphthalene sulfonic acids and derivativesalpha amino acidsamino acidsaminosulfonyl compoundscarbonyl compoundscarboxylic acidsdialkylarylaminesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsorganosulfonamides |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidamino acid or derivativesamino acidalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivative2-naphthalene sulfonamideorganosulfonic acid amideorganic oxidetertiary aliphatic/aromatic aminealpha-amino acidorganonitrogen compoundorganopnictogen compounddialkylarylaminetertiary amineaminosulfonyl compoundaromatic homopolycyclic compound2-naphthalene sulfonic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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