| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:58 UTC |
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| Update Date | 2025-03-25 00:53:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201211 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H12O5 |
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| Molecular Mass | 308.0685 |
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| SMILES | COc1ccc(C(=O)C2=C(O)C(=O)c3ccccc3C2=O)cc1 |
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| InChI Key | FFEHHSIPMHNJDB-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 | naphthalenes |
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| Subclass | naphthalenecarboxylic acids and derivatives |
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| Direct Parent | naphthalenecarboxylic acids |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesaryl ketonesbenzoyl derivativeshydrocarbon derivativesmethoxybenzenesnaphthoquinonesorganic oxidesphenoxy compoundsquinonesvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietyetherbenzoylaromatic homopolycyclic compoundalkyl aryl ethermethoxybenzeneketonevinylogous acidorganic oxideorganic oxygen compoundanisolehydrocarbon derivativephenoxy compound2-naphthalenecarboxylic acidnaphthoquinoneorganooxygen compoundaryl ketonequinone |
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