| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:48 UTC |
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| Update Date | 2025-03-25 00:47:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161967 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H28N2O7 |
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| Molecular Mass | 420.1897 |
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| SMILES | O=C(O)C1OC(Oc2ccc3[nH]cc(CCN4CCCCC4)c3c2)C(O)C(O)C1O |
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| InChI Key | UWCYAUNGEHVCIF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | o-glucuronides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsamino acidsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenol etherspiperidinespyran carboxylic acidspyrrolessecondary alcoholstrialkylamines |
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| Substituents | phenol ethercarbonyl groupcarboxylic acidamino acid or derivativesamino acidindoleo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxanepiperidinetertiary amineorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundtertiary aliphatic amineindole or derivativeshydroxy acidoxacyclemonocarboxylic acid or derivativespyranpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamine |
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