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CHEBI:132380 - cangoronin
| Formula | C30H44O5 |
| Net Charge | 0 |
| Average Mass | 484.677 |
| Monoisotopic Mass | 484.31887 |
| SMILES | [H][C@]12CC[C@]3(C=O)C(C)=C(O)C(=O)C[C@@]3([H])[C@]1(C)CC[C@@]1(C)[C@]3([H])C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C |
| InChI | InChI=1S/C30H44O5/c1-18-23(33)19(32)15-21-27(4)12-14-29(6)22-16-26(3,24(34)35)10-9-25(22,2)11-13-28(29,5)20(27)7-8-30(18,21)17-31/h17,20-22,33H,7-16H2,1-6H3,(H,34,35)/t20-,21-,22+,25+,26+,27+,28+,29-,30-/m0/s1 |
| InChIKey | CDOKUYLTAYCBST-XBBQATOGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Tripterygium wilfordii (ncbitaxon:458696) | bark (BTO:0001301) | PubMed (18996177) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| cangoronin (CHEBI:132380) has parent hydride friedelane (CHEBI:71575) |
| cangoronin (CHEBI:132380) has role plant metabolite (CHEBI:76924) |
| cangoronin (CHEBI:132380) is a aliphatic aldehyde (CHEBI:59768) |
| cangoronin (CHEBI:132380) is a cyclic terpene ketone (CHEBI:36130) |
| cangoronin (CHEBI:132380) is a enol (CHEBI:33823) |
| cangoronin (CHEBI:132380) is a enone (CHEBI:51689) |
| cangoronin (CHEBI:132380) is a hydroxy monocarboxylic acid (CHEBI:35868) |
| cangoronin (CHEBI:132380) is a pentacyclic triterpenoid (CHEBI:25872) |
| IUPAC Name |
|---|
| (2R,4aS,6aR,6bS,8aR,12aS,12bR,14aS,14bR)-8a-formyl-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,11,12,12a,12b,13,14,14a,14b-icosahydropicene-2-carboxylic acid |
| Synonym | Source |
|---|---|
| Cangoronine | KNApSAcK |
| Citations |
|---|