| Record Information |
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| Version | 2.0 |
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| Created at | 2022-03-17 20:57:31 UTC |
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| Updated at | 2022-03-17 20:57:31 UTC |
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| NP-MRD ID | NP0048505 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Lucidenic acid E2 |
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| Description | Lucidenic acid E2, also known as lucidenate E2, belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Lucidenic acid E2 is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, lucidenic acid E2 has been detected, but not quantified in, mushrooms. Lucidenic acid E2 is found in Ganoderma lucidum . This could make lucidenic acid E2 a potential biomarker for the consumption of these foods. |
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| Structure | CC(CCC(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(OC(C)=O)C12C)C1(C)CCC(O)C(C)(C)C1CC3=O InChI=1S/C29H40O8/c1-14(8-9-21(34)35)16-12-20(33)29(7)22-17(31)13-18-26(3,4)19(32)10-11-27(18,5)23(22)24(36)25(28(16,29)6)37-15(2)30/h14,16,18-19,25,32H,8-13H2,1-7H3,(H,34,35) |
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| Synonyms | | Value | Source |
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| Lucidenate e2 | Generator | | 12b-Acetoxy-3b-hydroxy-4,4,14-trimethyl-7,11,15-trioxochol-8-en-24-Oic acid, 9ci | HMDB | | 12b-Acetoxy-3b-hydroxy-7,11,15-trioxo-25,26,27-trisnorlanost-8-en-24-Oic acid | HMDB | | Lucidenic acid e | HMDB | | 4-[16-(Acetyloxy)-5-hydroxy-2,6,6,11,15-pentamethyl-9,12,17-trioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl]pentanoate | Generator |
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| Chemical Formula | C29H40O8 |
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| Average Mass | 516.6231 Da |
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| Monoisotopic Mass | 516.27232 Da |
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| IUPAC Name | 4-[16-(acetyloxy)-5-hydroxy-2,6,6,11,15-pentamethyl-9,12,17-trioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl]pentanoic acid |
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| Traditional Name | 4-[16-(acetyloxy)-5-hydroxy-2,6,6,11,15-pentamethyl-9,12,17-trioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl]pentanoic acid |
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| CAS Registry Number | 98665-17-9 |
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| SMILES | CC(CCC(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(OC(C)=O)C12C)C1(C)CCC(O)C(C)(C)C1CC3=O |
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| InChI Identifier | InChI=1S/C29H40O8/c1-14(8-9-21(34)35)16-12-20(33)29(7)22-17(31)13-18-26(3,4)19(32)10-11-27(18,5)23(22)24(36)25(28(16,29)6)37-15(2)30/h14,16,18-19,25,32H,8-13H2,1-7H3,(H,34,35) |
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| InChI Key | ASPCIAWQVXVATP-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 | | | 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 | |
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| Substituents | - Triterpenoid
- Hydroxy bile acid, alcohol, or derivatives
- Monohydroxy bile acid, alcohol, or derivatives
- Bile acid, alcohol, or derivatives
- Steroid ester
- 3-hydroxysteroid
- Hydroxysteroid
- 11-oxosteroid
- 15-oxosteroid
- Oxosteroid
- 7-oxosteroid
- Steroid
- Cyclohexenone
- Alpha-acyloxy ketone
- Dicarboxylic acid or derivatives
- Cyclic alcohol
- Ketone
- Secondary alcohol
- Carboxylic acid ester
- Carboxylic acid derivative
- Carboxylic acid
- Hydrocarbon derivative
- Organic oxygen compound
- Carbonyl group
- Organic oxide
- Alcohol
- Organooxygen compound
- Aliphatic homopolycyclic compound
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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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