| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:44 UTC |
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| Update Date | 2025-03-21 18:03:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00045140 |
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| Frequency | 74.7 |
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| Structure | |
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| Chemical Formula | C39H40N4O12 |
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| Molecular Mass | 756.2643 |
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| SMILES | CC1=C(CCC(=O)O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CCC(=O)O)c5C)C(CCC(=O)O)=C4CC(=O)O)c(CCC(=O)O)c3CCC(=O)O |
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| InChI Key | DKSPBOTUEFEYQT-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 heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshexacarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupcarboxylic acidazacycleheteroaromatic compoundcarboxylic acid derivativeorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundmetallotetrapyrrole skeletonhexacarboxylic acid or derivativesorganooxygen compound |
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