| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:40 UTC |
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| Update Date | 2025-03-25 00:46:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157283 |
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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 | O=C1CCc2cc(O)c3c(=O)c(-c4ccc(O)cc4)coc3c21 |
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| InChI Key | VXVGRDQNHSVEJK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | isoflavonoids |
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| Subclass | isoflav-2-enes |
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| Direct Parent | isoflavones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaryl alkyl ketonesbenzene and substituted derivativeschromonesheteroaromatic compoundshydrocarbon derivativesindanonesisoflavonoidsorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivativesvinylogous acids |
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| Substituents | monocyclic benzene moietyaryl alkyl ketone1-benzopyran1-hydroxy-2-unsubstituted benzenoidketoneorganic oxidechromonearomatic heteropolycyclic compoundpyranoneorganoheterocyclic compoundisoflavonebenzopyranheteroaromatic compoundindanoneoxacyclevinylogous acidorganic oxygen compoundpyranindanephenolhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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