| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:23 UTC |
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| Update Date | 2025-03-25 01:01:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250273 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12O8 |
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| Molecular Mass | 284.0532 |
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| SMILES | O=C(OC1C(=O)OCC(O)C1O)c1ccc(O)cc1O |
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| InChI Key | PHGPQFXLJPEQAM-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 | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | p-hydroxybenzoic acid alkyl esters |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzoyl derivativescarbonyl compoundscarboxylic acid estersdelta valerolactonesdicarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesresorcinolssalicylic acid and derivativessecondary alcoholsvinylogous acidso-hydroxybenzoic acid esters |
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| Substituents | carbonyl grouparomatic heteromonocyclic compounddelta valerolactonebenzoyl1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativeresorcinollactonesaccharideorganic oxideoxanedelta_valerolactoneorganoheterocyclic compound1,2-diolalcohol1-hydroxy-4-unsubstituted benzenoidp-hydroxybenzoic acid alkyl esteroxacyclevinylogous acidorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid estercarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
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