| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:35:48 UTC |
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| Update Date | 2025-03-21 17:57:06 UTC |
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| HMDB ID | HMDB0029459 |
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| Metabolite Identification |
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| DeepMet ID | DMID00005699 |
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| Name | Xanthoxylol |
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| Frequency | 928.2 |
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| Structure | |
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| Chemical Formula | C20H20O6 |
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| Molecular Mass | 356.126 |
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| SMILES | COc1cc(C2OCC3C(c4ccc5c(c4)OCO5)OCC23)ccc1O |
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| InChI Key | VBIRCRCPHNUJAS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lignans, neolignans and related compounds |
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| Class | furanoid lignans |
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| Subclass | furan lignans |
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| Direct Parent | furan lignans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetalsalkyl aryl ethersanisolesbenzodioxolesdialkyl ethersfurofuran lignansfurofuranshydrocarbon derivativesmethoxybenzenesmethoxyphenolsoxacyclic compoundsphenoxy compoundstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietyetherfurofuran lignan skeleton1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherdialkyl etheracetalaromatic heteropolycyclic compoundfurofuranorganoheterocyclic compoundbenzodioxoletetrahydrofuranmethoxybenzeneoxacyclefuran lignan skeletonorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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