| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:44 UTC |
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| Update Date | 2025-03-25 00:47:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164088 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H34O9 |
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| Molecular Mass | 430.2203 |
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| SMILES | CC12CCC(OC3OC(CO)C(O)C(O)C3O)CC1CCC1CCC(O)(C(=O)O)C12 |
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| InChI Key | CRIRVWXJJSTTEF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | prenol lipids |
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| Subclass | monoterpenoids |
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| Direct Parent | iridoids and derivatives |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | acetalsalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclic alcohols and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholssecondary alcoholstertiary alcohols |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharidecarboxylic acid derivativealiphatic heteropolycyclic compoundsaccharideorganic oxideacetaloxaneprimary alcoholorganoheterocyclic compoundalcoholhydroxy acidcyclic alcoholoxacycletertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivative11-noriridane monoterpenoidorganooxygen compound |
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