| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:07:36 UTC |
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| Update Date | 2025-03-24 21:02:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01652149 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C50H51N3O21 |
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| Molecular Mass | 1029.3015 |
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| SMILES | O=C(O)CCC1=C2CC(O)C(CCC(=O)O)=C(CC(=O)O)c3cc2nc1cc1[nH]c(cc(CCC(=O)O)nc2cc(c(CC(=O)O)c3CCC(=O)O)C(CCC(=O)O)=C2CC(=O)O)c(CC(=O)O)c1CCC(=O)O |
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| InChI Key | ULRGAKQUHFFCHI-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 | heteroaromatic compounds |
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| Subclass | heteroaromatic compounds |
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| Direct Parent | heteroaromatic compounds |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidazacycleheteroaromatic compoundcarboxylic acid derivativeorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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