| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:45 UTC |
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| Update Date | 2025-03-25 00:50:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182514 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H9NO7 |
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| Molecular Mass | 303.0379 |
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| SMILES | O=c1oc(-c2cc(O)c(O)c(O)c2)nc2cc(O)cc(O)c12 |
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| InChI Key | XOKBERLCSMVWSO-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 | benzoxazines |
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| Subclass | benzoxazines |
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| Direct Parent | benzoxazines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsazacyclic compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspyrogallols and derivativesvinylogous acids |
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| Substituents | monocyclic benzene moietypyrogallol derivativeazacyclebenzenetriolheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidbenzoxazine1-hydroxy-4-unsubstituted benzenoidlactoneoxacyclevinylogous acidorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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