| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:20:57 UTC |
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| Update Date | 2025-03-25 00:39:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02111778 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C52H52N4O20 |
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| Molecular Mass | 1052.3175 |
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| SMILES | CC1=C(CCC(=O)O)c2cc3[nH]c(cc4nc(cc5c(CC(=O)O)c(CCC(=O)O)c(cc1n2)c(CCC(=O)O)c5CC(=O)O)C(CCC(=O)O)=C(CCC(=O)O)C1=C(N1)C4CC(=O)O)c(CCC(=O)O)c3CC(=O)O |
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| InChI Key | QAHSETAXKAQURS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | Not Available |
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| Subclass | benzenoids |
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| Direct Parent | benzenoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundsazirinescarbonyl compoundscarboxylic acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganopnictogen compoundspyrroles |
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| Substituents | secondary aliphatic aminecarbonyl groupcarboxylic acidazacycleamino acid or derivativesamino acidheteroaromatic compoundsecondary aminecarboxylic acid derivativeorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundamineazirine |
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