| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:01 UTC |
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| Update Date | 2025-03-25 01:01:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249433 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C31H30N4O8 |
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| Molecular Mass | 586.2064 |
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| SMILES | C=CC1=C(C)C(=O)NC1=Cc1[nH]c(C=C2N=C(C=C3NC(C(=O)O)=CC3=O)C(C)=C2CCC(=O)O)c(CCC(=O)O)c1C |
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| InChI Key | QDACEPBTAWGPTQ-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 | alpha amino acidsamino acidsazacyclic compoundscarboxylic acidscyclic ketonesdialkylaminesdipyrrinsheteroaromatic compoundshydrocarbon derivativesketimineslactamsorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrolespyrroline 2-carboxylic acidssecondary carboxylic acid amidestricarboxylic acids and derivativesvinylogous amides |
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| Substituents | ketiminecarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidiminetricarboxylic acid or derivativescyclic ketonealpha-amino acid or derivativescarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundketonedipyrrinorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmetallotetrapyrrole skeletonvinylogous amidesecondary aliphatic amineazacyclepyrroline carboxylic acid or derivativesheteroaromatic compoundorganic 1,3-dipolar compoundsecondary aminecarboxamide grouppyrroline 2-carboxylic acidsecondary carboxylic acid amideorganic oxygen compoundpyrrolinepyrroline carboxylic acidpyrrolehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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