| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:15 UTC |
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| Update Date | 2025-03-21 18:06:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00060400 |
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| Frequency | 51.8 |
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| Structure | |
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| Chemical Formula | C17H16O6 |
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| Molecular Mass | 316.0947 |
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| SMILES | COc1ccc(C2COc3cc(O)cc(O)c3C2=O)cc1OC |
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| InChI Key | HKHUPRJSGAIBSW-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 | o-methylated isoflavonoids |
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| Direct Parent | 3'-o-methylated isoflavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids4'-o-methylated isoflavonoidsalkyl aryl ethersanisolesaryl alkyl ketoneschromonesdimethoxybenzeneshydrocarbon derivativesisoflavanolsisoflavanonesorganic oxidesoxacyclic compoundsphenoxy compoundsvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketone1-benzopyranisoflavanol1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherisoflavanoneketonedimethoxybenzeneorganic oxidechromone3p-methoxyisoflavonoid-skeletonaromatic heteropolycyclic compoundo-dimethoxybenzenechromaneorganoheterocyclic compound4p-methoxyisoflavonoidisoflavanbenzopyran1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneoxacyclevinylogous acidorganic oxygen compoundanisolehydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundaryl ketone |
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