| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:32 UTC |
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| Update Date | 2025-03-25 00:46:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154751 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H18O8S |
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| Molecular Mass | 394.0722 |
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| SMILES | COc1cc2c(c(S(=O)O)c1)C(=O)C(O)C(c1ccc(OC)c(OC)c1)O2 |
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| InChI Key | OIAWCNBRBQSVEW-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 | flavonoids |
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| Subclass | o-methylated flavonoids |
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| Direct Parent | 3'-o-methylated flavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 3-hydroxyflavonoids4'-o-methylated flavonoids7-o-methylated flavonoidsalkyl aryl ethersanisolesaryl alkyl ketoneschromonesdimethoxybenzenesflavanonolshydrocarbon derivativesorganic oxidesorganosulfur compoundsoxacyclic compoundsphenoxy compoundssecondary alcoholssulfinic acids |
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| Substituents | phenol ethermonocyclic benzene moiety3-hydroxyflavonoidetheraryl alkyl ketone1-benzopyranflavanoneflavansulfinic acid derivativealkyl aryl etherorganosulfur compoundsulfinic acidketonedimethoxybenzeneorganic oxidechromonearomatic heteropolycyclic compoundo-dimethoxybenzenechromaneorganoheterocyclic compoundalcoholbenzopyranflavanonolmethoxybenzene3p-methoxyflavonoid-skeletonoxacycleorganic oxygen compoundanisolesecondary alcohol4p-methoxyflavonoid-skeletonhydrocarbon derivativebenzenoid7-methoxyflavonoid-skeletonphenoxy compoundorganooxygen compoundaryl ketone |
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