| Molecule Identification |
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| Common Name | Medicagenic acid triglycoside |
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| Definition | Isolated from blooms of Medicago sativa (alfalfa). Medicagenic acid triglycoside is found in cereals and cereal products. |
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| Structure | CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C5CCC34C)C(O)=O)C2C1)C(O)=O InChI=1S/C30H46O6/c1-25(2)11-13-30(24(35)36)14-12-27(4)17(18(30)15-25)7-8-20-26(3)16-19(31)22(32)29(6,23(33)34)21(26)9-10-28(20,27)5/h7,18-22,31-32H,8-16H2,1-6H3,(H,33,34)(H,35,36) |
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| Synonyms | | Value | Source |
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| Medicagenate | Generator | | 2-beta,3-beta-Dihydroxyolean-12-ene-23,28-dioic acid | HMDB | | Catsanogenin | HMDB | | Medicogenic acid | HMDB | | 2,3-Dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4,8a-dicarboxylate | Generator |
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| Chemical Formula | C30H46O6 |
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| Average Molecular Weight | 502.6826 |
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| Monoisotopic Molecular Weight | 502.329439204 |
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| IUPAC Name | 2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4,8a-dicarboxylic acid |
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| Traditional Name | 2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid |
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| CAS Registry Number | 599-07-5 |
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| SMILES | CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C5CCC34C)C(O)=O)C2C1)C(O)=O |
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| InChI Identifier | InChI=1S/C30H46O6/c1-25(2)11-13-30(24(35)36)14-12-27(4)17(18(30)15-25)7-8-20-26(3)16-19(31)22(32)29(6,23(33)34)21(26)9-10-28(20,27)5/h7,18-22,31-32H,8-16H2,1-6H3,(H,33,34)(H,35,36) |
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| InChI Key | IDGXIXSKISLYAC-UHFFFAOYSA-N |
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