| Record Information |
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| Version | 2.0 |
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| Created at | 2022-03-17 20:52:48 UTC |
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| Updated at | 2022-03-17 20:52:48 UTC |
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| NP-MRD ID | NP0048205 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Ganoderic acid I |
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| Description | Ganoderic acid I, also known as ganoderate I, belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Ganoderic acid I is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, ganoderic acid I has been detected, but not quantified in, mushrooms. Ganoderic acid I is found in Ganoderma lucidum and Ganoderma lucidum (FR.)KARST. . This could make ganoderic acid I a potential biomarker for the consumption of these foods. |
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| Structure | CC(CC(=O)CC(C)(O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O)C(O)=O InChI=1S/C30H44O8/c1-15(25(36)37)10-16(31)13-29(6,38)20-12-22(35)30(7)24-17(32)11-19-26(2,3)21(34)8-9-27(19,4)23(24)18(33)14-28(20,30)5/h15,17,19-21,32,34,38H,8-14H2,1-7H3,(H,36,37) |
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| Synonyms | | Value | Source |
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| Ganoderate I | Generator | | 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}-6-hydroxy-2-methyl-4-oxoheptanoate | Generator |
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| Chemical Formula | C30H44O8 |
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| Average Mass | 532.6656 Da |
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| Monoisotopic Mass | 532.30362 Da |
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| IUPAC Name | 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}-6-hydroxy-2-methyl-4-oxoheptanoic acid |
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| Traditional Name | 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}-6-hydroxy-2-methyl-4-oxoheptanoic acid |
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| CAS Registry Number | 98665-20-4 |
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| SMILES | CC(CC(=O)CC(C)(O)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/C30H44O8/c1-15(25(36)37)10-16(31)13-29(6,38)20-12-22(35)30(7)24-17(32)11-19-26(2,3)21(34)8-9-27(19,4)23(24)18(33)14-28(20,30)5/h15,17,19-21,32,34,38H,8-14H2,1-7H3,(H,36,37) |
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| InChI Key | ZWMMEKXOLCCKLA-UHFFFAOYSA-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 | | Species Name | Source | Reference |
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| Agaricus bisporus | FooDB | - Shmuel Yannai Dictionary of Food Compounds with CD-ROM: Additives, Flavors, and Ingredients. Chap...
| | Ganoderma lucidum | Fungi | | | Ganoderma lucidum (FR.)KARST. | Fungi | | | Pleurotus ostreatus | FooDB | - Shmuel Yannai Dictionary of Food Compounds with CD-ROM: Additives, Flavors, and Ingredients. Chap...
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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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