| Record Information |
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| Version | 2.0 |
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| Created at | 2022-03-17 20:54:12 UTC |
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| Updated at | 2022-03-17 20:54:12 UTC |
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| NP-MRD ID | NP0048296 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Ganoderenic acid B |
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| Description | Ganoderenic acid B, also known as ganoderenate b, belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Ganoderenic acid B is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, ganoderenic acid b has been detected, but not quantified in, mushrooms. Ganoderenic acid B is found in Ganoderma applanatum and Ganoderma lucidum . This could make ganoderenic acid b a potential biomarker for the consumption of these foods. |
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| Structure | CC(CC(=O)\C=C(\C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O)C(O)=O InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h10,16,18-19,21-22,32,34H,8-9,11-14H2,1-7H3,(H,36,37)/b15-10- |
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| Synonyms | | Value | Source |
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| Ganoderenate b | Generator | | 3b,7b-Dihydroxy-11,15,23-trioxolanosta-8,20(22)e-dien-26-Oic acid | HMDB | | (5Z)-6-{5,9-dihydroxy-2,6,6,11,15-pentamethyl-12,17-dioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}-2-methyl-4-oxohept-5-enoate | Generator |
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| Chemical Formula | C30H42O7 |
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| Average Mass | 514.6503 Da |
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| Monoisotopic Mass | 514.29305 Da |
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| IUPAC Name | (5Z)-6-{5,9-dihydroxy-2,6,6,11,15-pentamethyl-12,17-dioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}-2-methyl-4-oxohept-5-enoic acid |
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| Traditional Name | (5Z)-6-{5,9-dihydroxy-2,6,6,11,15-pentamethyl-12,17-dioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}-2-methyl-4-oxohept-5-enoic acid |
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| CAS Registry Number | 100665-41-6 |
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| SMILES | CC(CC(=O)\C=C(\C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O)C(O)=O |
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| InChI Identifier | InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h10,16,18-19,21-22,32,34H,8-9,11-14H2,1-7H3,(H,36,37)/b15-10- |
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| InChI Key | QECQJYAIIIIKJB-GDNBJRDFSA-N |
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| Experimental Spectra |
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| Not Available | | Predicted Spectra |
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| Not Available | | Chemical Shift Submissions |
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| Not Available | | Species |
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| Species of Origin | |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Prenol lipids |
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| Sub Class | Triterpenoids |
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| Direct Parent | Triterpenoids |
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| Alternative Parents | Not Available |
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| Substituents | Not Available |
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| Molecular Framework | Aliphatic homopolycyclic compounds |
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| External Descriptors | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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