| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:37 UTC |
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| Update Date | 2025-03-25 00:56:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02216617 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C34H46N4O6S |
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| Molecular Mass | 638.3138 |
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| SMILES | CCC1=C(C)C(Cc2[nH]c(Cc3[nH]c(CC4NC(=O)C(CC)=C4C)c(C)c3CSCCC(=O)O)c(CCC(=O)O)c2C)NC1=O |
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| InChI Key | XKMRUOUQFLLPOG-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 | azacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolespyrrolinessecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundmetallotetrapyrrole skeletonsulfenyl compoundazacycledialkylthioetherheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolinethioetherpyrroledicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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