| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:28 UTC |
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| Update Date | 2025-03-25 00:47:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163511 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C42H45N5O8 |
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| Molecular Mass | 747.3268 |
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| SMILES | C=CC1=C(C)C(=O)NC1=CC1=NC(=CC2NC(=Cc3[nH]c(C=C4NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)C(CCC(=O)O)=C1C |
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| InChI Key | PCRXECXDVMOBSP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | tetrapyrroles and derivatives |
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| Subclass | metallotetrapyrroles |
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| Direct Parent | metallotetrapyrroles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativesketimineslactamsorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrolespyrrolinessecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | ketiminecarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidiminetricarboxylic acid or derivativescarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundmetallotetrapyrrole skeletonsecondary aliphatic amineazacycleheteroaromatic compoundorganic 1,3-dipolar compoundsecondary aminecarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolinepyrrolehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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