| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:25 UTC |
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| Update Date | 2025-03-21 18:40:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130428 |
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| Frequency | 19.5 |
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| Structure | |
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| Chemical Formula | C28H36O6 |
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| Molecular Mass | 468.2512 |
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| SMILES | CC1C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C2C(OC(=O)C(CO)c2ccccc2)C1 |
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| InChI Key | SBJIXZYECQDYMZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | lactones |
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| Subclass | delta valerolactones |
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| Direct Parent | delta valerolactones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | benzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanesprimary alcoholssecondary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl groupdelta valerolactonehydroxy acidcarboxylic acid derivativeoxacyclebeta-hydroxy acidorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidoxaneprimary alcoholdelta_valerolactoneorganooxygen compound |
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