| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 07:17:49 UTC |
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| Update Date | 2025-03-24 19:59:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01100480 |
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| Frequency | 1.3 |
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| Structure | |
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| Chemical Formula | C44H42N4O19 |
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| Molecular Mass | 930.2443 |
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| SMILES | O=C(O)CCC1=C2C=C3N=C(N=C2C=c2[nH]c(c(CCC(=O)O)c2CC(=O)O)=CC(C(O)CC(=O)O)=NC2=CC(=C1CC(=O)O)C(CCC(=O)O)=C2CC(=O)O)C(CCC(=O)O)=C3CC(=O)O |
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| InChI Key | VJMBIQSHSCWBRM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary alcohols |
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| Substituents | aromatic alcoholalcoholcarbonyl groupcarboxylic acidazacycleheteroaromatic compoundcarboxylic acid derivativebeta-hydroxy acidorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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